N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

Formula:C20H14N7O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is not a drug-like molecule.

MolName	N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
MolecularFormula	C20H14N7O4ClS
Smiles	[O-][N+](c(cc(cc1)-c2ccc(/C=N\NC(CSc3nnnn3-c3ccccc3)=O)o2)c1Cl)=O
InChI	InChI=1S/C20H14ClN7O4S/c21-16-8-6-13(10-17(16)28(30)31)18-9-7-15(32-18)11-22-23-19(29)12-33-20-24-25-26-27(20)14-4-2-1-3-5-14/h1-11H,12H2,(H,23,29)
InChIK	GONMWZYYHDQPAP-UHFFFAOYSA-N
TotalMolweight	483.895
Molweight	483.895
MonoisotopicMass	483.05165
CLogP	3.1784
CLogS	-6.987
H Acceptors	11
H Donors	1
TotalSurfaceArea	352.02
Relative PSA	0.39148
PolarSurfaceArea	169.32
Druglikeness	0.62656
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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