Molecule

ID:90186

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO
Molecular Mass
183.20596
Exact Mass
183.06841391
Charge
0
InChI
InChI=1S/C12H9NO/c14-8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13-14H
InChIKey
GWPGDZPXOZATKL-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)[nH]c1c2cccc1
Isomeric Smiles
[nH]1c2c(cccc2)c2ccc(cc12)O
Calculated Properties
JChem
Acid pKa
9.402828
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.7872665
LogD (pH = 7.4)
2.7830544
Log P
2.7873204
Molar Refractivity
55.4531
Polarizability
23.804424
Polar Surface Area
36.02
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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