Molecule

ID:58747

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-7-3-4-10-9(5-7)6-8(2)11/h3-5,8,11H,6H2,1-2H3
InChIKey
AQHQTBJJUXPLMA-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1nccc(c1)C)O
Isomeric Smiles
c1cnc(cc1C)CC(O)C
Calculated Properties
JChem
Acid pKa
15.394922
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6686087
LogD (pH = 7.4)
1.2206488
Log P
1.2367047
Molar Refractivity
44.3542
Polarizability
17.257154
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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