Molecule

ID:90168

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉NO
Molecular Mass
195.21666
Exact Mass
195.06841391
Charge
0
InChI
InChI=1S/C13H9NO/c15-14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,15H
InChIKey
CRNNFEKVPRFZKJ-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\c2ccccc2c2c1cccc2
Isomeric Smiles
N(=C\1/c2c(cccc2)c2c1cccc2)\O
Calculated Properties
JChem
Acid pKa
8.729242
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1152606
LogD (pH = 7.4)
3.0962188
Log P
3.116058
Molar Refractivity
59.5334
Polarizability
23.860218
Polar Surface Area
32.59
Rotatable Bonds
0
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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