Molecule

ID:95220

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈F₄N₂O
Molecular Mass
330.3205328
Exact Mass
330.13552609
Charge
0
InChI
InChI=1S/C16H18F4N2O/c17-14-4-2-13(3-5-14)12-22-8-1-7-21(10-11-22)9-6-15(23)16(18,19)20/h2-6,9H,1,7-8,10-12H2
InChIKey
FBWVZRNPIPLHGI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CN1CCCN(CC1)/C=C/C(=O)C(F)(F)F
Isomeric Smiles
N1(/C=C/C(=O)C(F)(F)F)CCN(Cc2ccc(cc2)F)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.104503
LogD (pH = 7.4)
2.8294392
Log P
3.3571908
Molar Refractivity
81.3017
Polarizability
29.494726
Polar Surface Area
23.55
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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