Molecule

ID:11746

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅F₂N
Molecular Mass
211.2510064
Exact Mass
211.11725593
Charge
0
InChI
InChI=1S/C12H15F2N/c13-12(14)6-8-15(9-7-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKey
ZOHRARQBWMKEMZ-UHFFFAOYSA-N
Canonic Smiles
FC1(F)CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(CCC(CC1)(F)F)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.28938568
LogD (pH = 7.4)
2.062316
Log P
2.9843667
Molar Refractivity
56.2033
Polarizability
21.562445
Polar Surface Area
3.24
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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