Molecule

ID:7907

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl
Molecular Mass
182.6898
Exact Mass
182.08622816
Charge
0
InChI
InChI=1S/C11H15Cl/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3
InChIKey
GPRIKJSAAYMDPC-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)Cl)CCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8689866
LogD (pH = 7.4)
4.8689866
Log P
4.8689866
Molar Refractivity
54.308
Polarizability
21.32759
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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