Molecule

ID:64911

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₃N
Molecular Mass
224.51482
Exact Mass
222.9722323
Charge
0
InChI
InChI=1S/C8H7Cl2N.ClH/c9-6-4-8(10)11-7-3-1-2-5(6)7;/h4H,1-3H2;1H
InChIKey
YOXSTBDHGDRLNM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(n1)CCC2.Cl
Isomeric Smiles
n1c(cc(c2c1CCC2)Cl)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0654283
LogD (pH = 7.4)
3.0654414
Log P
3.0654414
Molar Refractivity
47.0294
Polarizability
17.91308
Polar Surface Area
12.89
Rotatable Bonds
0
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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