Molecule

ID:57214

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-6,12H,7H2
InChIKey
YQEJIIUSNDZIGO-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc2c(c1)cccn2
Isomeric Smiles
c1(ccc2c(c1)cccn2)CO
Calculated Properties
JChem
Acid pKa
14.950558
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.328045
LogD (pH = 7.4)
1.3630832
Log P
1.3635507
Molar Refractivity
46.7952
Polarizability
19.451506
Polar Surface Area
33.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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