Molecule

ID:96867

General Information
Structure
Molecular Formula
C₁₀H₁₂F₃N
Molecular Mass
203.2041896
Exact Mass
203.09218405
Charge
0
InChI
InChI=1S/C10H12F3N/c1-2-9(14)7-4-3-5-8(6-7)10(11,12)13/h3-6,9H,2,14H2,1H3
InChIKey
ZZTDGFLVDISOIK-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cccc(c1)C(F)(F)F)N
Isomeric Smiles
NC(c1cccc(c1)C(F)(F)F)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.08584508
LogD (pH = 7.4)
0.7220925
Log P
2.91596
Molar Refractivity
49.4479
Polarizability
18.406729
Polar Surface Area
26.02
Rotatable Bonds
3
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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