Molecule

ID:45271

General Information
Structure
Molecular Formula
C₇H₈Cl₃N
Molecular Mass
212.50412
Exact Mass
210.9722323
Charge
0
InChI
InChI=1S/C7H7Cl2N.ClH/c8-6-2-1-5(4-10)7(9)3-6;/h1-3H,4,10H2;1H
InChIKey
IOSPRWNZCSXFRO-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1Cl)Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)CN)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6327636
LogD (pH = 7.4)
0.5684339
Log P
2.3071036
Molar Refractivity
44.141
Polarizability
17.44029
Polar Surface Area
26.02
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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