Molecule

ID:128426

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₂N
Molecular Mass
197.2244264
Exact Mass
197.10160586
Charge
0
InChI
InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2
InChIKey
VXLBSYHAEKDUSU-UHFFFAOYSA-N
Canonic Smiles
NC/C(=C\F)/CCc1ccc(cc1)F
Isomeric Smiles
Fc1ccc(cc1)CC/C(=C/F)/CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6244039
LogD (pH = 7.4)
0.2528159
Log P
2.3706503
Molar Refractivity
53.0901
Polarizability
20.09901
Polar Surface Area
26.02
Rotatable Bonds
4
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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