Molecule

ID:28790

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅ClF₃NO
Molecular Mass
329.7446096
Exact Mass
329.07942645
Charge
0
InChI
InChI=1S/C16H15ClF3NO/c1-11(22-15-8-3-2-7-14(15)17)10-21-13-6-4-5-12(9-13)16(18,19)20/h2-9,11,21H,10H2,1H3
InChIKey
QPJVSFMBXFLYGH-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1Cl)CNc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(NCC(Oc2c(Cl)cccc2)C)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9820194
LogD (pH = 7.4)
4.988459
Log P
4.9885416
Molar Refractivity
82.0013
Polarizability
30.212845
Polar Surface Area
21.26
Rotatable Bonds
6
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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