Molecule

ID:61480

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇F₃N₄
Molecular Mass
310.3174896
Exact Mass
310.14053122
Charge
0
InChI
InChI=1S/C15H17F3N4/c16-15(17,18)13-2-1-11-12(21-13)3-6-20-14(11)22-7-4-10(9-19)5-8-22/h1-3,6,10H,4-5,7-9,19H2
InChIKey
HZKOTNOIUIEDHM-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)c1nccc2c1ccc(n2)C(F)(F)F
Isomeric Smiles
c1(ccc2c(n1)ccnc2N1CCC(CC1)CN)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.76572436
LogD (pH = 7.4)
-0.06579554
Log P
2.5512068
Molar Refractivity
78.366
Polarizability
30.007828
Polar Surface Area
55.04
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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