2-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C20H17N3O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C20H17N3O4S
Smiles	[O-][N+](c1ccc(/C=N\c2c(C(Nc3ccccc3)=O)c(CCCC3)c3s2)o1)=O
InChI	InChI=1S/C20H17N3O4S/c24-19(22-13-6-2-1-3-7-13)18-15-8-4-5-9-16(15)28-20(18)21-12-14-10-11-17(27-14)23(25)26/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,24)
InChIK	ILOPWLJEJQKSQK-UHFFFAOYSA-N
TotalMolweight	395.438
Molweight	395.438
MonoisotopicMass	395.093977
CLogP	4.0124
CLogS	-6.589
H Acceptors	7
H Donors	1
TotalSurfaceArea	297.59
Relative PSA	0.33906
PolarSurfaceArea	128.66
Druglikeness	-3.0343
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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