Molecule

ID:68044

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
InChIKey
VDBNYAPERZTOOF-UHFFFAOYSA-N
Canonic Smiles
Oc1nccc2c1cccc2
Isomeric Smiles
c1(nccc2ccccc12)O
Calculated Properties
JChem
Acid pKa
11.858118
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0349193
LogD (pH = 7.4)
2.0359144
Log P
2.0359423
Molar Refractivity
42.6457
Polarizability
17.594013
Polar Surface Area
33.12
Rotatable Bonds
0
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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