Molecule

ID:4294

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChIKey
LISFMEBWQUVKPJ-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c([nH]1)cccc2
Isomeric Smiles
O=c1[nH]c2ccccc2cc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.60
LogD (pH = 5.5)
1.60
Log P
1.60
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
13.75
Polar Surface Area
29.10
Polarizability
14.82
Molar Refractivity
45.28
LOG S
-2.62
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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