Molecule

ID:86212

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄Cl₃N₃
Molecular Mass
330.64006
Exact Mass
329.0253305
Charge
0
InChI
InChI=1S/C14H14Cl3N3/c1-3-20(4-2)14-11(16)12(17)18-13(19-14)9-5-7-10(15)8-6-9/h5-8H,3-4H2,1-2H3
InChIKey
KPYACIZQRCWDGE-UHFFFAOYSA-N
Canonic Smiles
CCN(c1nc(nc(c1Cl)Cl)c1ccc(cc1)Cl)CC
Isomeric Smiles
n1c(c(c(nc1c1ccc(cc1)Cl)Cl)Cl)N(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.912023
LogD (pH = 7.4)
5.9123693
Log P
5.912374
Molar Refractivity
97.8484
Polarizability
33.070972
Polar Surface Area
29.02
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
No Data Available
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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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