Molecule

ID:83384

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₄ClN₃O₂
Molecular Mass
409.90856
Exact Mass
409.1557047
Charge
0
InChI
InChI=1S/C23H24ClN3O2/c1-25(2)19-10-5-16(6-11-19)23(17-7-12-20(13-8-17)26(3)4)18-9-14-21(24)22(15-18)27(28)29/h5-15,23H,1-4H3
InChIKey
ACFFZMSJFUBOCZ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1Cl)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
Isomeric Smiles
[N+](=O)(c1c(ccc(c1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.064552
LogD (pH = 7.4)
6.2434354
Log P
6.2459793
Molar Refractivity
121.4255
Polarizability
44.66717
Polar Surface Area
52.3
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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