Molecule

ID:89132

General Information
Structure
MolImage
Molecular Formula
C₈H₇Cl₂NO
Molecular Mass
204.05328
Exact Mass
202.99046921
Charge
0
InChI
InChI=1S/C8H7Cl2NO/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKey
VFEDGRKNPQMLEP-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c(c(c1)Cl)C(=O)N
Isomeric Smiles
Clc1c(c(cc(c1)Cl)C)C(=O)N
Calculated Properties
JChem
Acid pKa
13.305772
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5453968
LogD (pH = 7.4)
2.5453973
Log P
2.5453968
Molar Refractivity
49.7872
Polarizability
18.766384
Polar Surface Area
43.09
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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