Molecule

ID:14982

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-6-7-2-1-3-9-8(7)4-5-10-9/h1-6,10H
InChIKey
JFDDFGLNZWNJTK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1cc[nH]2
Isomeric Smiles
c12c([nH]cc1)cccc2C=O
Calculated Properties
JChem
LogD (pH = 7.4)
1.78
LogD (pH = 5.5)
1.78
Log P
1.78
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.11
Polar Surface Area
32.86
Polarizability
14.93
Molar Refractivity
43.73
LOG S
-2.24
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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