Molecule

ID:54500

General Information
Structure
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c1-16-12(15)5-4-9-7-11-10(14-8-9)3-2-6-13-11/h2-8H,1H3/b5-4+
InChIKey
FJBYEFBNBGNGPC-SNAWJCMRSA-N
Canonic Smiles
COC(=O)/C=C/c1cnc2c(c1)nccc2
Isomeric Smiles
c1(cnc2c(c1)nccc2)/C=C/C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8410803
LogD (pH = 7.4)
1.8411454
Log P
1.8411462
Molar Refractivity
59.2214
Polarizability
24.01237
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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