Molecule

ID:80869

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀Cl₂
Molecular Mass
307.2574
Exact Mass
306.094206
Charge
0
InChI
InChI=1S/C18H20Cl2/c1-10-11(2)13(4)17(14(5)12(10)3)18(20)15-6-8-16(19)9-7-15/h6-9,18H,1-5H3
InChIKey
BIEAHTWLVQCDCS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1c(C)c(C)c(c(c1C)C)C)Cl
Isomeric Smiles
ClC(c1c(c(c(c(c1C)C)C)C)C)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.5158796
LogD (pH = 7.4)
7.5158796
Log P
7.5158796
Molar Refractivity
90.2185
Polarizability
34.258064
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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