Molecule

ID:20189

General Information
Structure
Molecular Formula
C₁₄H₂₁Cl₂F₃N₂O
Molecular Mass
361.2305496
Exact Mass
360.09830332
Charge
0
InChI
InChI=1S/C14H19F3N2O.2ClH/c15-14(16,17)12-10-11(18)4-5-13(12)20-9-8-19-6-2-1-3-7-19;;/h4-5,10H,1-3,6-9,18H2;2*1H
InChIKey
VNSWNPCQGJCFPT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)OCCN1CCCCC1.Cl.Cl
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCN1CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2917387
LogD (pH = 7.4)
1.4267168
Log P
2.7335076
Molar Refractivity
73.3564
Polarizability
26.889519
Polar Surface Area
38.49
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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