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N-[(Z)-(3-chlorophenyl)methylideneamino]-3-[3-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide

Formula:C20H20N4O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(3-chlorophenyl)methylideneamino]-3-[3-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide is not a drug-like molecule.
MolNameN-[(Z)-(3-chlorophenyl)methylideneamino]-3-[3-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-3-oxopropyl]sulfanylpropanamide
MolecularFormulaC20H20N4O2Cl2S
SmilesO=C(CCSCCC(N/N=C\c1cccc(Cl)c1)=O)N/N=C\c1cc(Cl)ccc1
InChIInChI=1S/C20H20Cl2N4O2S/c21-17-5-1-3-15(11-17)13-23-25-19(27)7-9-29-10-8-20(28)26-24-14-16-4-2-6-18(22)12-16/h1-6,11-14H,7-10H2,(H,25,27)(H,26,28)
InChIKDAFMKJCOXBTDRJ-UHFFFAOYSA-N
TotalMolweight451.377
Molweight451.377
MonoisotopicMass450.0684
CLogP5.3054
CLogS-6.737
H Acceptors6
H Donors2
TotalSurfaceArea344.33
Relative PSA0.25995
PolarSurfaceArea108.22
Druglikeness4.4
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.72414
Fragments1
Non HAtoms29
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond10
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms14
StereoCon

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