Molecule

ID:530

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₄
Molecular Mass
320.0412
Exact Mass
317.95366104
Charge
0
InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
InChIKey
JWBOIMRXGHLCPP-UHFFFAOYSA-N
Canonic Smiles
ClC(C(c1ccccc1Cl)c1ccc(cc1)Cl)Cl
Isomeric Smiles
ClC(Cl)C(c1ccc(Cl)cc1)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.110365
LogD (pH = 7.4)
6.110365
Log P
6.110365
Molar Refractivity
79.9654
Polarizability
30.937008
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
6.08
LOG S
-7.53
Solubility (Water)
9.42e-06 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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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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