Molecule

ID:7440

General Information
Structure
Molecular Formula
C₁₃H₁₀ClF₃N₂O₂
Molecular Mass
318.6789096
Exact Mass
318.03828991
Charge
0
InChI
InChI=1S/C13H10ClF3N2O2/c1-2-21-12(20)10-7-18-19(11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChIKey
AXOBLWLBBFCXOG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C(F)(F)F)c1ccc(cc1)Cl
Isomeric Smiles
c1nn(c(c1C(=O)OCC)C(F)(F)F)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8212423
LogD (pH = 7.4)
3.8212435
Log P
3.8212435
Molar Refractivity
71.8496
Polarizability
26.78409
Polar Surface Area
44.12
Rotatable Bonds
5
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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