Molecule

ID:88342

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c1-12-5-3-2-4(8)6(10-5)7(9)11/h2-3H,1H3
InChIKey
LHRGRVZEHBNLKH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(n1)C(=O)Cl)Cl
Isomeric Smiles
n1c(c(ccc1OC)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3731673
LogD (pH = 7.4)
2.3731673
Log P
2.3731673
Molar Refractivity
46.2253
Polarizability
17.770864
Polar Surface Area
39.19
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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