Molecule
ID:79703
General Information
Molecular Formula
C₉H₄Cl₃N
Molecular Mass
232.49376
Exact Mass
230.94093217
Charge
0
InChI
InChI=1S/C9H4Cl3N/c10-7-5-3-1-2-4-6(5)13-9(12)8(7)11/h1-4H
InChIKey
OVAXVANZWJUQBI-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)nc2c(c1Cl)cccc2
Isomeric Smiles
n1c(c(c(c2ccccc12)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.163212
LogD (pH = 7.4)
4.163212
Log P
4.163212
Molar Refractivity
55.455
Polarizability
22.698648
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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