Molecule

ID:134742

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇ClO
Molecular Mass
247.80923484
Exact Mass
247.178398
Charge
0
InChI
InChI=1S/C14H27ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3/i14+1
InChIKey
LPWCRLGKYWVLHQ-UJKGMGNHSA-N
Canonic Smiles
CCCCCCCCCCCCC[13C](=O)Cl
Isomeric Smiles
CCCCCCCCCCCCC[13C](=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.900775
LogD (pH = 7.4)
5.900775
Log P
5.900775
Molar Refractivity
71.7401
Polarizability
28.439728
Polar Surface Area
17.07
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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