Molecule

ID:78331

General Information
Structure
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
Oc1ccc2c(n1)cccc2
Isomeric Smiles
n1c(ccc2ccccc12)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.42
LogD (pH = 5.5)
2.42
Log P
2.42
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
11.89
Polar Surface Area
33.12
Polarizability
14.97
Molar Refractivity
42.27
LOG S
-2.13
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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