Molecule

ID:89457

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Cl
Molecular Mass
182.6898
Exact Mass
182.08622816
Charge
0
InChI
InChI=1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3
InChIKey
WAXIFMGAKWIFDQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(C)(C)C
Isomeric Smiles
ClCc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.105544
LogD (pH = 7.4)
4.105544
Log P
4.105544
Molar Refractivity
54.5908
Polarizability
21.278833
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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