(1E)-2-chloro-N-[(2-chlorobenzoyl)amino]benzenecarboximidoyl cyanide

Formula:C15H9N3OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E)-2-chloro-N-[(2-chlorobenzoyl)amino]benzenecarboximidoyl cyanide is a drug-like molecule.

MolName(1E)-2-chloro-N-[(2-chlorobenzoyl)amino]benzenecarboximidoyl cyanide
MolecularFormulaC15H9N3OCl2
SmilesN#C/C(/c(cccc1)c1Cl)=N/NC(c(cccc1)c1Cl)=O
InChIInChI=1S/C15H9Cl2N3O/c16-12-7-3-1-5-10(12)14(9-18)19-20-15(21)11-6-2-4-8-13(11)17/h1-8H,(H,20,21)
InChIKOAZKBYJQYZLKST-UHFFFAOYSA-N
TotalMolweight318.162
Molweight318.162
MonoisotopicMass317.012266
CLogP3.5971
CLogS-5.701
H Acceptors4
H Donors1
TotalSurfaceArea237.75
Relative PSA0.2085
PolarSurfaceArea65.25
Druglikeness-0.89794
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
StereoCon

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