Molecule

ID:74775

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-6,10H
InChIKey
XQVZDADGTFJAFM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1[nH]cc2
Isomeric Smiles
[nH]1ccc2cccc(c12)C=O
Calculated Properties
JChem
Acid pKa
14.975512
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7845101
LogD (pH = 7.4)
1.7845101
Log P
1.7845101
Molar Refractivity
43.7285
Polarizability
17.471495
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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