Molecule

ID:111135

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄Cl₂N₂
Molecular Mass
399.35606
Exact Mass
398.13165414
Charge
0
InChI
InChI=1S/C23H24ClN2.ClH/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;/h5-16H,1-4H3;1H/q+1;/p-1
InChIKey
GRPFBMKYXAYEJM-UHFFFAOYSA-M
Canonic Smiles
CN(c1ccc(cc1)/C(=C/1\C=CC(=[N+](C)C)C=C1)/c1ccccc1Cl)C.[Cl-]
Isomeric Smiles
[Cl-].CN(C)c1ccc(cc1)/C(=C\1/C=CC(=[N+](C)C)C=C1)/c1ccccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8514562
LogD (pH = 7.4)
1.8909839
Log P
1.8915119
Molar Refractivity
136.3801
Polarizability
42.86444
Polar Surface Area
6.25
Rotatable Bonds
3
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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