Molecule

ID:9040

General Information
Structure
Molecular Formula
C₇H₄Cl₂O
Molecular Mass
175.01206
Exact Mass
173.96392011
Charge
0
InChI
InChI=1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
InChIKey
CASRSOJWLARCRX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)cc(c1)Cl
Isomeric Smiles
c1(cc(cc(c1)Cl)Cl)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8938375
LogD (pH = 7.4)
2.8938375
Log P
2.8938375
Molar Refractivity
42.2516
Polarizability
16.020126
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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