Molecule

ID:58778

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,12H,11H2
InChIKey
ZHVPTERSBUMMHK-UHFFFAOYSA-N
Canonic Smiles
Nc1cc2ccccc2cc1O
Isomeric Smiles
c1ccc2c(c1)cc(c(c2)O)N
Calculated Properties
JChem
Acid pKa
10.0920725
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.807376
LogD (pH = 7.4)
1.8289973
Log P
1.8302313
Molar Refractivity
49.1895
Polarizability
19.635359
Polar Surface Area
46.25
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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