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Compound PDK0364

CAT: 0931-PDK0364-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-PDK0364-01Size:1 g
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CAS Number
81-83-4
Bioactivity
Compound PDK0364, with CAS No. 81-83-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0364 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=C1NC(=O)C2=C3C(C=CC=C13)=CC=C2
Molecular Formula
C12H7NO2
Molecular Weight
197.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Naphthalimide
CAS Number81-83-4
PubChem CID66491
IUPAC Namebenzo[de]isoquinoline-1,3-dione
Molecular FormulaC12H7NO2
Molecular Weight197.19
XLogP1.7
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity285
SMILES
C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2
InChI
InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)
InChIKey
XJHABGPPCLHLLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthalimide
CAS: 81-83-4
CID: 66491
Formula: C12H7NO2
MW: 197.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.19
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass197.047678466
Monoisotopic Mass197.047678466
Topological Polar Surface Area46.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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PDK0363-01Compound PDK0363
PDK0360Compound PDK0360
PDK0367-01Compound PDK0367
PDK0365-01Compound PDK0365

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