Molecule

ID:123815

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NO
Molecular Mass
151.20562
Exact Mass
151.09971404
Charge
0
InChI
InChI=1S/C9H13NO/c1-6-7(2)10(4)8(3)9(6)5-11/h5H,1-4H3
InChIKey
JGQKLLSCCLQIFD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)c(n(c1C)C)C
Isomeric Smiles
c1(c(n(c(c1C)C)C)C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9018524
LogD (pH = 7.4)
1.9018524
Log P
1.9018524
Molar Refractivity
47.6381
Polarizability
16.983217
Polar Surface Area
22.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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