Molecule

ID:35738

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈F₃N₃
Molecular Mass
273.2973296
Exact Mass
273.14528225
Charge
0
InChI
InChI=1S/C13H18F3N3/c14-13(15,16)11-2-1-3-12(10-11)19-8-6-18(5-4-17)7-9-19/h1-3,10H,4-9,17H2
InChIKey
YDJUKXZGPAOCSN-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)c1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(N2CCN(CC2)CCN)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3592142
LogD (pH = 7.4)
0.052582126
Log P
2.009274
Molar Refractivity
70.4602
Polarizability
25.859081
Polar Surface Area
32.5
Rotatable Bonds
4
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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