Molecule

ID:31575

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀F₃N
Molecular Mass
189.1776096
Exact Mass
189.07653399
Charge
0
InChI
InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2
InChIKey
HMFOBPNVAAAACP-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)C(F)(F)F
Isomeric Smiles
C(c1ccc(cc1)CCN)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.74393415
LogD (pH = 7.4)
-0.0328521
Log P
2.265524
Molar Refractivity
45.2601
Polarizability
16.528078
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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