Molecule

ID:57222

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-7-4-3-5-9(10-7)6-8(2)11/h3-5,8,11H,6H2,1-2H3
InChIKey
UXBJKXQFCAWOHW-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1cccc(n1)C)O
Isomeric Smiles
c1c(nc(cc1)CC(C)O)C
Calculated Properties
JChem
Acid pKa
15.397792
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28367525
LogD (pH = 7.4)
0.8395208
Log P
0.8546534
Molar Refractivity
43.9045
Polarizability
17.258951
Polar Surface Area
33.12
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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