Molecule

ID:47674

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁F₃N₂
Molecular Mass
286.3358496
Exact Mass
286.16568334
Charge
0
InChI
InChI=1S/C15H21F3N2/c1-2-20(12-6-4-3-5-7-12)14-9-8-11(10-13(14)19)15(16,17)18/h8-10,12H,2-7,19H2,1H3
InChIKey
QRLCICLXYIDJPD-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)C(F)(F)F)C1CCCCC1
Isomeric Smiles
C(c1cc(c(N(C2CCCCC2)CC)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.135597
LogD (pH = 7.4)
4.284028
Log P
4.2862906
Molar Refractivity
76.9235
Polarizability
27.614527
Polar Surface Area
29.26
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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