Molecule

ID:87479

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-13-10-4-2-8(3-5-11(14)15)6-9(10)7-12-13/h2-7H,1H3,(H,14,15)
InChIKey
ZXCIBFISPLCCKT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc2c(c1)cnn2C
Isomeric Smiles
n1cc2cc(ccc2n1C)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
4.4343934
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.48258984
LogD (pH = 7.4)
-1.2786615
Log P
1.5828242
Molar Refractivity
68.291
Polarizability
22.261307
Polar Surface Area
55.12
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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