Molecule
ID:22557
General Information
Molecular Formula
C₉H₈Cl₂
Molecular Mass
187.06582
Exact Mass
186.00030562
Charge
0
InChI
InChI=1S/C9H8Cl2/c1-6(2)7-3-8(10)5-9(11)4-7/h3-5H,1H2,2H3
InChIKey
CSXMJJOTTRDXHY-UHFFFAOYSA-N
Canonic Smiles
CC(=C)c1cc(Cl)cc(c1)Cl
Isomeric Smiles
C=C(C)c1cc(cc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.217432
LogD (pH = 7.4)
4.217432
Log P
4.217432
Molar Refractivity
49.6359
Polarizability
19.412193
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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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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