Molecule

ID:65077

General Information
Structure
MolImage
Molecular Formula
C₉H₄Cl₃N
Molecular Mass
232.49376
Exact Mass
230.94093217
Charge
0
InChI
InChI=1S/C9H4Cl3N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H
InChIKey
IQEHNPFLYOSKCB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)cc(nc2Cl)Cl
Isomeric Smiles
c1c(cc2c(c1)c(nc(c2)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9975386
LogD (pH = 7.4)
3.9975386
Log P
3.9975386
Molar Refractivity
56.8883
Polarizability
22.681599
Polar Surface Area
12.89
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
References
Bioactivity
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