2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

Formula:C24H19N6O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is not a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
MolecularFormula	C24H19N6O3ClS
Smiles	C=C(c1cc([N+]([O-])=O)ccc1)NNC(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)=O
InChI	InChI=1S/C24H19ClN6O3S/c1-16(18-6-5-9-21(14-18)31(33)34)26-27-22(32)15-35-24-29-28-23(17-10-12-19(25)13-11-17)30(24)20-7-3-2-4-8-20/h2-14,26H,1,15H2,(H,27,32)
InChIK	TWHHYORLCLDYFH-UHFFFAOYSA-N
TotalMolweight	506.973
Molweight	506.973
MonoisotopicMass	506.092786
CLogP	3.1449
CLogS	-9.526
H Acceptors	9
H Donors	2
TotalSurfaceArea	373.02
Relative PSA	0.30207
PolarSurfaceArea	142.96
Druglikeness	-4.0548
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide | 2 - 2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

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