Molecule

ID:43587

General Information
Structure
Molecular Formula
C₆H₄ClF₃N₂O
Molecular Mass
212.5569696
Exact Mass
211.9964251
Charge
0
InChI
InChI=1S/C6H4ClF3N2O/c1-13-3-2-11-5(6(8,9)10)12-4(3)7/h2H,1H3
InChIKey
AFHSLKLRYUXPOA-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1Cl)C(F)(F)F
Isomeric Smiles
c1(cnc(nc1Cl)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2809355
LogD (pH = 7.4)
2.2809355
Log P
2.2809355
Molar Refractivity
40.6862
Polarizability
14.633791
Polar Surface Area
35.01
Rotatable Bonds
2
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
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