Molecule

ID:44019

General Information
Structure
Molecular Formula
C₁₀H₄Cl₂F₃N
Molecular Mass
266.0466696
Exact Mass
264.96728915
Charge
0
InChI
InChI=1S/C10H4Cl2F3N/c11-7-1-2-16-9-6(7)3-5(4-8(9)12)10(13,14)15/h1-4H
InChIKey
KIFUFTJYLJCEEE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccnc2c1cc(cc2Cl)C(F)(F)F
Isomeric Smiles
c12c(c(cc(C(F)(F)F)c1)Cl)nccc2Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.216761
LogD (pH = 7.4)
4.2168374
Log P
4.2168384
Molar Refractivity
55.5626
Polarizability
21.882154
Polar Surface Area
12.89
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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