Molecule

ID:48395

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClF₃N₂
Molecular Mass
314.7332696
Exact Mass
314.0797608
Charge
0
InChI
InChI=1S/C15H14ClF3N2/c1-2-21(10-11-6-4-3-5-7-11)14-13(16)8-12(9-20-14)15(17,18)19/h3-9H,2,10H2,1H3
InChIKey
UKWHNCSDFFEHNT-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ncc(cc1Cl)C(F)(F)F)Cc1ccccc1
Isomeric Smiles
c1(ncc(C(F)(F)F)cc1Cl)N(Cc1ccccc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0170536
LogD (pH = 7.4)
5.021196
Log P
5.021249
Molar Refractivity
78.7829
Polarizability
28.641466
Polar Surface Area
16.13
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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