Molecule

ID:33149

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂NO
Molecular Mass
202.0374
Exact Mass
200.97481915
Charge
0
InChI
InChI=1S/C8H5Cl2NO/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2
InChIKey
LWFVLQNVCIBMRB-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc2c(o1)cc(cc2)Cl
Isomeric Smiles
n1c(oc2c1ccc(c2)Cl)CCl
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
19.38227
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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