4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide

Formula:C23H18N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide is a drug-like molecule.

MolName	4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[1-(4-nitrophenyl)ethenyl]benzohydrazide
MolecularFormula	C23H18N4O3S2
Smiles	C=C(c(cc1)ccc1[N+]([O-])=O)NNC(c1ccc(CSc2nc(cccc3)c3s2)cc1)=O
InChI	InChI=1S/C23H18N4O3S2/c1-15(17-10-12-19(13-11-17)27(29)30)25-26-22(28)18-8-6-16(7-9-18)14-31-23-24-20-4-2-3-5-21(20)32-23/h2-13,25H,1,14H2,(H,26,28)
InChIK	NIZONZZKVKCXND-UHFFFAOYSA-N
TotalMolweight	462.553
Molweight	462.553
MonoisotopicMass	462.082031
CLogP	3.672
CLogS	-7.36
H Acceptors	7
H Donors	2
TotalSurfaceArea	340.42
Relative PSA	0.33841
PolarSurfaceArea	153.38
Druglikeness	-5.515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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