Molecule

ID:62872

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClF₃N₃O
Molecular Mass
257.6406496
Exact Mass
257.05427433
Charge
0
InChI
InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(14-15-7)5-3-1-2-4-12-5;/h5,12H,1-4H2;1H
InChIKey
ASZYTLDYPZQUKO-UHFFFAOYSA-N
Canonic Smiles
FC(c1onc(n1)C1CCCCN1)(F)F.Cl
Isomeric Smiles
c1(nc(no1)C1NCCCC1)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.61354125
LogD (pH = 7.4)
1.91026
Log P
2.0307808
Molar Refractivity
46.771
Polarizability
16.884357
Polar Surface Area
50.95
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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