Molecule

ID:127354

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄F₃N
Molecular Mass
229.2414696
Exact Mass
229.10783411
Charge
0
InChI
InChI=1S/C12H14F3N/c1-2-16-11-6-8-3-4-10(12(13,14)15)5-9(8)7-11/h3-5,11,16H,2,6-7H2,1H3
InChIKey
PHTXVQQRWJXYPP-UHFFFAOYSA-N
Canonic Smiles
CCNC1Cc2c(C1)ccc(c2)C(F)(F)F
Isomeric Smiles
FC(F)(F)c1ccc2CC(NCC)Cc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.06796739
LogD (pH = 7.4)
0.5788504
Log P
3.154568
Molar Refractivity
57.7631
Polarizability
21.197155
Polar Surface Area
12.03
Rotatable Bonds
3
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
References
Bioactivity
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