Molecule

ID:133290

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃ClO
Molecular Mass
300.90702
Exact Mass
300.22199336
Charge
0
InChI
InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3/b8-7-
InChIKey
WYUXJEJFKYBBMZ-FPLPWBNLSA-N
Canonic Smiles
CCCCCC/C=C\CCCCCCCCCC(=O)Cl
Isomeric Smiles
CCCCCC/C=C\CCCCCCCCCC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.317128
LogD (pH = 7.4)
7.317128
Log P
7.317128
Molar Refractivity
91.2607
Polarizability
35.575684
Polar Surface Area
17.07
Rotatable Bonds
15
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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