Molecule

ID:42572

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO
Molecular Mass
204.05328
Exact Mass
202.99046921
Charge
0
InChI
InChI=1S/C8H7Cl2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)
InChIKey
SCYGGCAQZFJGRF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c(c1)Cl)Cl
Isomeric Smiles
c1(cc(NC(=O)C)ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
14.049704
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4190454
LogD (pH = 7.4)
2.4190454
Log P
2.4190454
Molar Refractivity
50.5306
Polarizability
19.036282
Polar Surface Area
29.1
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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