Molecule

ID:62276

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁F₃N₂O
Molecular Mass
326.3566496
Exact Mass
326.16059796
Charge
0
InChI
InChI=1S/C17H21F3N2O/c18-17(19,20)13-5-3-4-12(10-13)11-22-15-8-9-21-14(15)6-1-2-7-16(22)23/h3-5,10,14-15,21H,1-2,6-9,11H2/t14-,15+/m1/s1
InChIKey
HWZMDLMPKIIKOB-CABCVRRESA-N
Canonic Smiles
O=C1CCCC[C@@H]2[C@@H](N1Cc1cccc(c1)C(F)(F)F)CCN2
Isomeric Smiles
N1(C(=O)CCCC[C@@H]2[C@@H]1CCN2)Cc1cc(C(F)(F)F)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.45750543
LogD (pH = 7.4)
-0.16233069
Log P
2.7790911
Molar Refractivity
81.9041
Polarizability
31.050323
Polar Surface Area
32.34
Rotatable Bonds
3
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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