Molecule
ID:80862
General Information
Molecular Formula
C₁₈H₂₁Cl
Molecular Mass
272.81234
Exact Mass
272.13317835
Charge
0
InChI
InChI=1S/C18H21Cl/c1-11-12(2)14(4)17(15(5)13(11)3)18(19)16-9-7-6-8-10-16/h6-10,18H,1-5H3
InChIKey
BWWSWNDNEGFULM-UHFFFAOYSA-N
Canonic Smiles
ClC(c1c(C)c(C)c(c(c1C)C)C)c1ccccc1
Isomeric Smiles
ClC(c1c(c(c(c(c1C)C)C)C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.911835
LogD (pH = 7.4)
6.911835
Log P
6.911835
Molar Refractivity
85.4137
Polarizability
32.433937
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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