Molecule

ID:47802

General Information
Structure
Molecular Formula
C₁₆H₁₅F₃N₂
Molecular Mass
292.2989096
Exact Mass
292.11873315
Charge
0
InChI
InChI=1S/C16H15F3N2/c17-16(18,19)14-9-13(20)5-6-15(14)21-8-7-11-3-1-2-4-12(11)10-21/h1-6,9H,7-8,10,20H2
InChIKey
KORPLZHXGJMWBO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(F)(F)F)N1CCc2c(C1)cccc2
Isomeric Smiles
c1(C(F)(F)F)c(N2Cc3c(CC2)cccc3)ccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.794502
LogD (pH = 7.4)
3.8931572
Log P
3.894574
Molar Refractivity
79.0829
Polarizability
27.900623
Polar Surface Area
29.26
Rotatable Bonds
2
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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