Molecule

ID:33262

General Information
Structure
Molecular Formula
C₈H₅Cl₂NO
Molecular Mass
202.0374
Exact Mass
200.97481915
Charge
0
InChI
InChI=1S/C8H5Cl2NO/c9-4-8-11-6-3-5(10)1-2-7(6)12-8/h1-3H,4H2
InChIKey
SMGVJNOYBXYDFB-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc2c(o1)ccc(c2)Cl
Isomeric Smiles
n1c2c(oc1CCl)ccc(c2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5843184
LogD (pH = 7.4)
2.5843186
Log P
2.5843186
Molar Refractivity
46.7218
Polarizability
19.381653
Polar Surface Area
26.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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