N,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]butanediamide

Formula:C18H16N4O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]butanediamide is a drug-like molecule.

MolNameN,N'-bis[(Z)-(2-chlorophenyl)methylideneamino]butanediamide
MolecularFormulaC18H16N4O2Cl2
SmilesO=C(CCC(N/N=C\c(cccc1)c1Cl)=O)N/N=C\c(cccc1)c1Cl
InChIInChI=1S/C18H16Cl2N4O2/c19-15-7-3-1-5-13(15)11-21-23-17(25)9-10-18(26)24-22-12-14-6-2-4-8-16(14)20/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26)
InChIKZZULKYJVKDIEFK-UHFFFAOYSA-N
TotalMolweight391.257
Molweight391.257
MonoisotopicMass390.06503
CLogP4.6592
CLogS-6.13
H Acceptors6
H Donors2
TotalSurfaceArea299.32
Relative PSA0.24061
PolarSurfaceArea82.92
Druglikeness3.0488
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.69231
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms13
StereoCon

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