Molecule

ID:88546

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₃N
Molecular Mass
198.47754
Exact Mass
196.95658224
Charge
0
InChI
InChI=1S/C6H5Cl2N.ClH/c7-2-5-1-6(8)4-9-3-5;/h1,3-4H,2H2;1H
InChIKey
SLFIOMUSOAXIAV-UHFFFAOYSA-N
Canonic Smiles
ClCc1cncc(c1)Cl.Cl
Isomeric Smiles
n1cc(cc(c1)CCl)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9456234
LogD (pH = 7.4)
1.9468446
Log P
1.9468602
Molar Refractivity
38.5728
Polarizability
15.018258
Polar Surface Area
12.89
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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