N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide

Formula:C19H12N4O4S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide is a drug-like molecule.

MolName	N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-2-nitrobenzamide
MolecularFormula	C19H12N4O4S2
Smiles	[O-][N+](c(cccc1)c1C(N/N=C\c(o1)ccc1Sc1nc(cccc2)c2s1)=O)=O
InChI	InChI=1S/C19H12N4O4S2/c24-18(13-5-1-3-7-15(13)23(25)26)22-20-11-12-9-10-17(27-12)29-19-21-14-6-2-4-8-16(14)28-19/h1-11H,(H,22,24)
InChIK	WYRFDUQZJGFVMN-UHFFFAOYSA-N
TotalMolweight	424.46
Molweight	424.46
MonoisotopicMass	424.029996
CLogP	3.8891
CLogS	-6.248
H Acceptors	8
H Donors	1
TotalSurfaceArea	306.9
Relative PSA	0.42151
PolarSurfaceArea	166.85
Druglikeness	1.6175
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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