Molecule

ID:78901

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅Cl₄N₇
Molecular Mass
471.1706
Exact Mass
469.01430424
Charge
0
InChI
InChI=1S/C18H15Cl4N7/c19-13-23-14(20)26-17(25-13)29(18-27-15(21)24-16(22)28-18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
InChIKey
DNNXOIUQVUXXFR-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(n1)Cl)N(c1nc(Cl)nc(n1)Cl)c1ccc(cc1)C1CCCCC1
Isomeric Smiles
N(c1nc(nc(n1)Cl)Cl)(c1nc(nc(n1)Cl)Cl)c1ccc(cc1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
8.166541
LogD (pH = 7.4)
8.166541
Log P
8.166541
Molar Refractivity
120.2237
Polarizability
43.72768
Polar Surface Area
80.58
Rotatable Bonds
4
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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