Molecule

ID:61635

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂NO
Molecular Mass
192.04258
Exact Mass
190.99046921
Charge
0
InChI
InChI=1S/C7H7Cl2NO/c1-11-7-3-5(4-8)2-6(9)10-7/h2-3H,4H2,1H3
InChIKey
ZGVSEGYOCISGLQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCl)cc(n1)Cl
Isomeric Smiles
n1c(cc(cc1OC)CCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6038234
LogD (pH = 7.4)
2.6038237
Log P
2.6038237
Molar Refractivity
46.4108
Polarizability
17.62423
Polar Surface Area
22.12
Rotatable Bonds
2
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
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References
Bioactivity
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