Molecule

ID:48375

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₂O
Molecular Mass
266.6474096
Exact Mass
266.04337529
Charge
0
InChI
InChI=1S/C10H10ClF3N2O/c11-8-3-6(10(12,13)14)4-15-9(8)16-2-1-7(17)5-16/h3-4,7,17H,1-2,5H2
InChIKey
LCTHUZSMYUAYEC-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)c1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
N1(c2ncc(C(F)(F)F)cc2Cl)CC(CC1)O
Calculated Properties
JChem
Acid pKa
14.829837
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1936986
LogD (pH = 7.4)
2.1980126
Log P
2.198068
Molar Refractivity
58.2806
Polarizability
21.095108
Polar Surface Area
36.36
Rotatable Bonds
2
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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