Molecule
ID:121042
General Information
Molecular Formula
C₄H₄Cl₃N₃
Molecular Mass
200.45366
Exact Mass
198.94708018
Charge
0
InChI
InChI=1S/C4H4Cl3N3/c5-1-2-10-4(7)8-3(6)9-10/h1-2H2
InChIKey
JSZSDQCDBPQPPC-UHFFFAOYSA-N
Canonic Smiles
ClCCn1nc(nc1Cl)Cl
Isomeric Smiles
n1c(n(nc1Cl)CCCl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2016408
LogD (pH = 7.4)
2.2016408
Log P
2.2016408
Molar Refractivity
54.0033
Polarizability
15.954527
Polar Surface Area
30.71
Rotatable Bonds
2
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
No Data Available
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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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