Molecule

ID:109752

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-7H,1H3,(H,13,14)
InChIKey
VAECZJVLTOQMGP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cnc2c(c1)cccc2
Isomeric Smiles
CC(=O)Nc1cnc2ccccc2c1
Calculated Properties
JChem
Acid pKa
12.978832
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.363038
LogD (pH = 7.4)
1.3685391
Log P
1.3686109
Molar Refractivity
54.8423
Polarizability
21.847548
Polar Surface Area
41.99
Rotatable Bonds
1
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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