Molecule

ID:99996

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClF₃NO₂
Molecular Mass
387.8237496
Exact Mass
387.12129126
Charge
0
InChI
InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H
InChIKey
NLOALSPYZIIXEO-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1.Cl
Isomeric Smiles
FC(c1cccc(c1)CC(C)NCCOC(=O)c1ccccc1)(F)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8231815
LogD (pH = 7.4)
3.1831942
Log P
4.919877
Molar Refractivity
90.5678
Polarizability
34.142334
Polar Surface Area
38.33
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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