Molecule

ID:108988

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H3,12,13,14)
InChIKey
FVSUYFWWFUVGRG-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Nc1cccc2c1cccc2
Isomeric Smiles
NC(=O)Nc1cccc2c1cccc2
Calculated Properties
JChem
Acid pKa
13.031557
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.8668875
LogD (pH = 7.4)
1.8668865
Log P
1.8668875
Molar Refractivity
56.0479
Polarizability
22.037823
Polar Surface Area
55.12
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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