Molecule

ID:103175

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Cl₄N₄
Molecular Mass
360.11012
Exact Mass
358.02855732
Charge
0
InChI
InChI=1S/C12H14N4.4ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;;;;/h1-6H,13-16H2;4*1H
InChIKey
KJDSORYAHBAGPP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1N)c1ccc(c(c1)N)N.Cl.Cl.Cl.Cl
Isomeric Smiles
Cl.Cl.Cl.Cl.Nc1ccc(cc1N)c1ccc(N)c(N)c1
Calculated Properties
JChem
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.23196726
LogD (pH = 7.4)
0.3037893
Log P
0.30476737
Molar Refractivity
69.9958
Polarizability
25.874
Polar Surface Area
104.08
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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