Molecule

ID:103955

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₈Cl₂F₂N₂
Molecular Mass
477.4167264
Exact Mass
476.15976071
Charge
0
InChI
InChI=1S/C26H26F2N2.2ClH/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21;;/h1-15,26H,16-20H2;2*1H
InChIKey
RXKMOPXNWTYEHI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C/C=C/c1ccccc1.Cl.Cl
Isomeric Smiles
Cl.Cl.Fc1ccc(cc1)C(N1CCN(CC1)C/C=C/c1ccccc1)c1ccc(F)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0807085
LogD (pH = 7.4)
5.754555
Log P
6.165795
Molar Refractivity
120.2976
Polarizability
45.707912
Polar Surface Area
6.48
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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