Molecule

ID:100371

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₃N
Molecular Mass
215.2148896
Exact Mass
215.09218405
Charge
0
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10,15H,1-2,7H2
InChIKey
GSOGADJIIMVREB-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)C1CCCN1)(F)F
Isomeric Smiles
N1CCCC1c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.36008608
LogD (pH = 7.4)
-0.0097782975
Log P
2.8750076
Molar Refractivity
52.4909
Polarizability
19.521776
Polar Surface Area
12.03
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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