N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C23H16N6O3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H16N6O3Cl2S
Smiles	[O-][N+](c1cccc(-c(n2-c3ccccc3)nnc2SCC(N/N=C\c(ccc(Cl)c2)c2Cl)=O)c1)=O
InChI	InChI=1S/C23H16Cl2N6O3S/c24-17-10-9-16(20(25)12-17)13-26-27-21(32)14-35-23-29-28-22(30(23)18-6-2-1-3-7-18)15-5-4-8-19(11-15)31(33)34/h1-13H,14H2,(H,27,32)
InChIK	DQKVERUUJNTXIE-UHFFFAOYSA-N
TotalMolweight	527.391
Molweight	527.391
MonoisotopicMass	526.038163
CLogP	4.8222
CLogS	-10.348
H Acceptors	9
H Donors	1
TotalSurfaceArea	378.99
Relative PSA	0.29745
PolarSurfaceArea	143.29
Druglikeness	0.3391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

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