Molecule

ID:77289

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁Cl
Molecular Mass
188.73744
Exact Mass
188.13317835
Charge
0
InChI
InChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
InChIKey
PSEVKFKRYVAODC-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCCCCCC=C
Isomeric Smiles
ClCCCCCCCCCC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9679065
LogD (pH = 7.4)
4.9679065
Log P
4.9679065
Molar Refractivity
57.437
Polarizability
22.57413
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
true
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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