Molecule

ID:16742

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-4-10-7(2)5-9(6-11)8(10)3/h5-6H,4H2,1-3H3
InChIKey
NWDZDFOKSUDVJV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)CC)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7452389
LogD (pH = 7.4)
1.7452389
Log P
1.7452389
Molar Refractivity
47.3455
Polarizability
17.061174
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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