Molecule

ID:7854

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₃N
Molecular Mass
206.45648
Exact Mass
204.92528211
Charge
0
InChI
InChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKey
PGODHCIOIPODFE-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)cc(cc1Cl)Cl
Isomeric Smiles
C(#N)c1c(Cl)cc(Cl)cc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.641476
LogD (pH = 7.4)
3.641476
Log P
3.641476
Molar Refractivity
46.194
Polarizability
17.923792
Polar Surface Area
23.79
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
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References
Bioactivity
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