Molecule

ID:7389

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClF₃N₂
Molecular Mass
184.5468696
Exact Mass
184.00151048
Charge
0
InChI
InChI=1S/C5H4ClF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)
InChIKey
KNTOBPVSOYISFT-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C)[nH]nc1C(F)(F)F
Isomeric Smiles
c1(c(c([nH]n1)C)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.090379
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.344734
LogD (pH = 7.4)
2.3447337
Log P
2.3447347
Molar Refractivity
35.3016
Polarizability
12.396142
Polar Surface Area
28.68
Rotatable Bonds
1
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
Navigation
CAS 235106-12-4|4-Chloro-3-trifluoromethyl-5-(methyl)pyrazole|4-chloro-3-methyl-5-(trifluoromethyl)-2H-pyrazole|4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazole|4-Chloro-5-methyl-3-(trifluoromethyl... | Molfinder