Molecule

ID:104476

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉ClO
Molecular Mass
272.85386
Exact Mass
272.19069323
Charge
0
InChI
InChI=1S/C16H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3
InChIKey
VZQFJZYVQNXVRY-UHFFFAOYSA-N
Canonic Smiles
CCCCCC/C=C/CCCCCCCC(=O)Cl
Isomeric Smiles
CCCCCC/C=C/CCCCCCCC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.427991
LogD (pH = 7.4)
6.427991
Log P
6.427991
Molar Refractivity
82.0587
Polarizability
31.88706
Polar Surface Area
17.07
Rotatable Bonds
13
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
Molecule Details
References
Bioactivity
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