Molecule

ID:34715

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈F₂N₂
Molecular Mass
288.3350264
Exact Mass
288.14380503
Charge
0
InChI
InChI=1S/C17H18F2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2
InChIKey
TTXIFFYPVGWLSE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCNCC1
Isomeric Smiles
N1(C(c2ccc(cc2)F)c2ccc(cc2)F)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.32765964
LogD (pH = 7.4)
1.6431205
Log P
3.4483583
Molar Refractivity
80.0717
Polarizability
30.747025
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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