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

Formula:C22H14N6O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-[4-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]methylideneamino]-2-hydroxybenzamide is not a drug-like molecule.

MolName	N-[(Z)-[4-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]methylideneamino]-2-hydroxybenzamide
MolecularFormula	C22H14N6O4Cl2S
Smiles	[O-][N+](c(cc(/C=N\NC(c(cccc1)c1O)=O)cc1)c1Sc1n[nH]c(-c(ccc(Cl)c2)c2Cl)n1)=O
InChI	InChI=1S/C22H14Cl2N6O4S/c23-13-6-7-14(16(24)10-13)20-26-22(29-27-20)35-19-8-5-12(9-17(19)30(33)34)11-25-28-21(32)15-3-1-2-4-18(15)31/h1-11,31H,(H,28,32)(H,26,27,29)
InChIK	LXFWXLCVZRSCJP-UHFFFAOYSA-N
TotalMolweight	529.363
Molweight	529.363
MonoisotopicMass	528.017428
CLogP	4.6224
CLogS	-8.007
H Acceptors	10
H Donors	3
TotalSurfaceArea	371.95
Relative PSA	0.35744
PolarSurfaceArea	174.38
Druglikeness	-0.41143
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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

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