Molecule

ID:34300

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c12-6-3-7-13-9-5-2-1-4-8(9)10(14)11(13)15/h1-2,4-5H,3,7H2
InChIKey
QJBZWCHIEWPKTK-UHFFFAOYSA-N
Canonic Smiles
N#CCCN1c2ccccc2C(=O)C1=O
Isomeric Smiles
c1cc2c(cc1)C(=O)C(=O)N2CCC#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.58855456
LogD (pH = 7.4)
0.58855456
Log P
0.58855456
Molar Refractivity
53.3542
Polarizability
19.91873
Polar Surface Area
61.17
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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