Molecule

ID:76583

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂OS
Molecular Mass
209.09294
Exact Mass
207.95164117
Charge
0
InChI
InChI=1S/C7H6Cl2OS/c8-2-5-1-6(4-10)11-7(5)3-9/h1,4H,2-3H2
InChIKey
WXZNHNNYFIQWBZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(c(s1)CCl)CCl
Isomeric Smiles
s1c(c(CCl)cc1C=O)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.905553
LogD (pH = 7.4)
2.905553
Log P
2.905553
Molar Refractivity
49.0498
Polarizability
18.353916
Polar Surface Area
17.07
Rotatable Bonds
3
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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