1-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazine

Formula:C20H15N5O4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:high 1-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazine is a drug-like molecule.

MolName	1-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazine
MolecularFormula	C20H15N5O4S2
Smiles	[O-][N+](c1cccc(-c2csc(NNC(S3)=NC/C3=C\c(cc3)cc4c3OCO4)n2)c1)=O
InChI	InChI=1S/C20H15N5O4S2/c26-25(27)14-3-1-2-13(8-14)16-10-30-20(22-16)24-23-19-21-9-15(31-19)6-12-4-5-17-18(7-12)29-11-28-17/h1-8,10H,9,11H2,(H,21,23)(H,22,24)
InChIK	YBYARWBVEFMVNB-UHFFFAOYSA-N
TotalMolweight	453.502
Molweight	453.502
MonoisotopicMass	453.056545
CLogP	4.4101
CLogS	-7.022
H Acceptors	9
H Donors	2
TotalSurfaceArea	319.76
Relative PSA	0.41803
PolarSurfaceArea	167.13
Druglikeness	-1.2848
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Aromatic Nitrogens	1
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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1 - 1-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazine | 2 - 1-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazine

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