Molecule

ID:86010

General Information
Structure
Molecular Formula
C₉H₆Cl₃N
Molecular Mass
234.50964
Exact Mass
232.95658224
Charge
0
InChI
InChI=1S/C9H6Cl3N/c10-7-2-1-6(9(12)4-7)3-8(11)5-13/h1-2,4,8H,3H2
InChIKey
PCIYKWGKFRQRJS-UHFFFAOYSA-N
Canonic Smiles
N#CC(Cc1ccc(cc1Cl)Cl)Cl
Isomeric Smiles
N#CC(Cc1ccc(cc1Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.805127
LogD (pH = 7.4)
3.805127
Log P
3.805127
Molar Refractivity
55.0987
Polarizability
21.342922
Polar Surface Area
23.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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