Molecule

ID:69705

General Information
Structure
Molecular Formula
C₉H₃Cl₂F₃N₂
Molecular Mass
267.0347296
Exact Mass
265.96253813
Charge
0
InChI
InChI=1S/C9H3Cl2F3N2/c10-4-1-2-6-5(3-4)7(11)16-8(15-6)9(12,13)14/h1-3H
InChIKey
CZTOJGYFRVINNW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(Cl)nc(n2)C(F)(F)F
Isomeric Smiles
n1c(nc(c2cc(ccc12)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4291906
LogD (pH = 7.4)
4.4291906
Log P
4.4291906
Molar Refractivity
55.106
Polarizability
21.136646
Polar Surface Area
25.78
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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