Molecule

ID:113923

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₂
Molecular Mass
209.28476
Exact Mass
209.14157885
Charge
0
InChI
InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)
InChIKey
JKZCKUGJZBWOQO-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)CC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC(=O)NO)CC3CC(C1)CC(C2)C3
Calculated Properties
JChem
Acid pKa
8.901657
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5021149
LogD (pH = 7.4)
1.48888
Log P
1.5022862
Molar Refractivity
56.5243
Polarizability
22.484161
Polar Surface Area
49.33
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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