Molecule

ID:89754

General Information
Structure
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Molecular Formula
C₇H₄Cl₂O
Molecular Mass
175.01206
Exact Mass
173.96392011
Charge
0
InChI
InChI=1S/C7H4Cl2O/c8-6-4-2-1-3-5(6)7(9)10/h1-4H
InChIKey
ONIKNECPXCLUHT-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccccc1Cl
Isomeric Smiles
O=C(c1c(cccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.768203
LogD (pH = 7.4)
2.768203
Log P
2.768203
Molar Refractivity
41.9775
Polarizability
16.017103
Polar Surface Area
17.07
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
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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