(E)-N-[[[2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

Formula:C17H13N7O2Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[[2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
MolecularFormula	C17H13N7O2Cl2S2
Smiles	O=C(Cn1nnc(-c2cccc(Cl)c2Cl)n1)NNC(NC(/C=C/c1cccs1)=O)=S
InChI	InChI=1S/C17H13Cl2N7O2S2/c18-12-5-1-4-11(15(12)19)16-22-25-26(24-16)9-14(28)21-23-17(29)20-13(27)7-6-10-3-2-8-30-10/h1-8H,9H2,(H,21,28)(H2,20,23,27,29)
InChIK	NSVIDMFNNSVQLG-UHFFFAOYSA-N
TotalMolweight	482.375
Molweight	482.375
MonoisotopicMass	480.994917
CLogP	2.5191
CLogS	-5.775
H Acceptors	9
H Donors	3
TotalSurfaceArea	347.89
Relative PSA	0.42715
PolarSurfaceArea	174.16
Druglikeness	0.023934
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	4
StereoCon

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1 - (E)-N-[[[2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[[[2-[5-(2,3-dichlorophenyl)tetrazol-2-yl]acetyl]amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide

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