Molecule

ID:96576

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈F₃N₃O
Molecular Mass
301.3074296
Exact Mass
301.14019687
Charge
0
InChI
InChI=1S/C14H18F3N3O/c1-10(2)13(21)20-8-6-19(7-9-20)12-11(14(15,16)17)4-3-5-18-12/h3-5,10H,6-9H2,1-2H3
InChIKey
WQUFLQBLNLFUFM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1ncccc1C(F)(F)F)C(C)C
Isomeric Smiles
N1(c2c(cccn2)C(F)(F)F)CCN(CC1)C(=O)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3796597
LogD (pH = 7.4)
2.648541
Log P
2.6534593
Molar Refractivity
74.1396
Polarizability
26.937817
Polar Surface Area
36.44
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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