Molecule

ID:64108

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7-3-2-4-9-8(6-12)5-11-10(7)9/h2-6,11H,1H3
InChIKey
KTUFZHVVJBHGKZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c[nH]c2c1cccc2C
Isomeric Smiles
[nH]1c2c(c(c1)C=O)cccc2C
Calculated Properties
JChem
Acid pKa
13.851392
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2979314
LogD (pH = 7.4)
2.2979314
Log P
2.2979314
Molar Refractivity
48.7697
Polarizability
19.240221
Polar Surface Area
32.86
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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