Molecule

ID:86997

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO
Molecular Mass
190.0267
Exact Mass
188.97481915
Charge
0
InChI
InChI=1S/C7H5Cl2NO/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H2,10,11)
InChIKey
NMHJIYQWKWHDSX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)N)Cl
Isomeric Smiles
O=C(c1cc(ccc1Cl)Cl)N
Calculated Properties
JChem
Acid pKa
12.770424
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0319753
LogD (pH = 7.4)
2.0319772
Log P
2.0319755
Molar Refractivity
44.746
Polarizability
17.009209
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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