Molecule

ID:14979

General Information
Structure
MolImage
Molecular Formula
C₅H₂Cl₃N
Molecular Mass
182.43508
Exact Mass
180.92528211
Charge
0
InChI
InChI=1S/C5H2Cl3N/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey
KKWRVUBDCJQHBZ-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)cncc1Cl
Isomeric Smiles
c1(c(Cl)cncc1Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5676966
LogD (pH = 7.4)
2.5677073
Log P
2.5677073
Molar Refractivity
38.3155
Polarizability
15.28258
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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