Molecule

ID:63535

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂NO
Molecular Mass
202.0374
Exact Mass
200.97481915
Charge
0
InChI
InChI=1S/C8H5Cl2NO/c9-5-1-4-2-8(12)11-7(4)3-6(5)10/h1,3H,2H2,(H,11,12)
InChIKey
ADDAYZCZQHOPJX-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2c(C1)cc(c(c2)Cl)Cl
Isomeric Smiles
N1C(=O)Cc2cc(c(Cl)cc12)Cl
Calculated Properties
JChem
Acid pKa
12.899029
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2801394
LogD (pH = 7.4)
2.2801383
Log P
2.2801394
Molar Refractivity
49.1945
Polarizability
18.326239
Polar Surface Area
29.1
Rotatable Bonds
0
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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