Molecule

ID:58749

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁NO
Molecular Mass
137.17904
Exact Mass
137.08406398
Charge
0
InChI
InChI=1S/C8H11NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5,7,10H,6H2,1H3
InChIKey
GAMOMPUVNAWKHH-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccccn1)O
Isomeric Smiles
c1cnc(cc1)CC(O)C
Calculated Properties
JChem
Acid pKa
15.391616
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5444049
LogD (pH = 7.4)
0.72045356
Log P
0.7232833
Molar Refractivity
39.313
Polarizability
15.493101
Polar Surface Area
33.12
Rotatable Bonds
2
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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