Molecule

ID:65525

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c8-4-3-10-7-6(5(4)9)11-1-2-12-7/h3H,1-2H2
InChIKey
UUUDCPSRURTBMC-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc2c(c1Cl)OCCO2
Isomeric Smiles
c1(cnc2c(c1Cl)OCCO2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0712507
LogD (pH = 7.4)
2.0712528
Log P
2.0712528
Molar Refractivity
44.7816
Polarizability
17.722353
Polar Surface Area
31.35
Rotatable Bonds
0
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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