(E)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C15H12N4O4S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C15H12N4O4S2
Smiles	[O-][N+](c(cccc1)c1C(NNC(NC(/C=C/c1cccs1)=O)=S)=O)=O
InChI	InChI=1S/C15H12N4O4S2/c20-13(8-7-10-4-3-9-25-10)16-15(24)18-17-14(21)11-5-1-2-6-12(11)19(22)23/h1-9H,(H,17,21)(H2,16,18,20,24)
InChIK	SZYRUFPCWVEWQB-UHFFFAOYSA-N
TotalMolweight	376.416
Molweight	376.416
MonoisotopicMass	376.029996
CLogP	1.0742
CLogS	-4.695
H Acceptors	8
H Donors	3
TotalSurfaceArea	281.72
Relative PSA	0.49425
PolarSurfaceArea	176.38
Druglikeness	-2.1235
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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