Molecule

ID:71400

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClF₃N₂O₂
Molecular Mass
270.6361096
Exact Mass
270.03828991
Charge
0
InChI
InChI=1S/C9H10ClF3N2O2/c10-7-1-5(9(11,12)13)2-14-8(7)15-3-6(17)4-16/h1-2,6,16-17H,3-4H2,(H,14,15)
InChIKey
FFLKJPMJZVVNRR-UHFFFAOYSA-N
Canonic Smiles
OCC(CNc1ncc(cc1Cl)C(F)(F)F)O
Isomeric Smiles
C(c1cc(c(nc1)NCC(O)CO)Cl)(F)(F)F
Calculated Properties
JChem
Acid pKa
13.991493
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.9775683
LogD (pH = 7.4)
0.98418015
Log P
0.98426527
Molar Refractivity
57.4417
Polarizability
20.721159
Polar Surface Area
65.38
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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