Molecule

ID:16260

General Information
Structure
MolImage
Molecular Formula
C₇H₇Cl₂NO₂
Molecular Mass
208.04198
Exact Mass
206.98538383
Charge
0
InChI
InChI=1S/C7H6ClNO2.ClH/c1-11-7(10)6-4-5(8)2-3-9-6;/h2-4H,1H3;1H
InChIKey
PAGFSBPYVNFHAS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)ccn1.Cl
Isomeric Smiles
c1cnc(cc1Cl)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5489266
LogD (pH = 7.4)
1.5489451
Log P
1.5489453
Molar Refractivity
40.3592
Polarizability
15.807827
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
References
Bioactivity
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