Molecule

ID:109488

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃Cl
Molecular Mass
120.62042
Exact Mass
120.0705781
Charge
0
InChI
InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKey
XGCKOSFYXBAPQM-UHFFFAOYSA-N
Canonic Smiles
ClCCC(C)(C)C
Isomeric Smiles
CC(C)(C)CCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.74698
LogD (pH = 7.4)
2.74698
Log P
2.74698
Molar Refractivity
34.2096
Polarizability
13.593827
Polar Surface Area
0.0
Rotatable Bonds
2
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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