(E)-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide

Formula:C17H11N3OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C17H11N3OCl2S2
Smiles	O=C(/C=C/c1ccccc1)NC(Nc1nc(c(Cl)c(cc2)Cl)c2s1)=S
InChI	InChI=1S/C17H11Cl2N3OS2/c18-11-7-8-12-15(14(11)19)21-17(25-12)22-16(24)20-13(23)9-6-10-4-2-1-3-5-10/h1-9H,(H2,20,21,22,23,24)
InChIK	RBEIXDFOHKHOLE-UHFFFAOYSA-N
TotalMolweight	408.332
Molweight	408.332
MonoisotopicMass	406.972056
CLogP	5.3331
CLogS	-6.482
H Acceptors	4
H Donors	2
TotalSurfaceArea	293.04
Relative PSA	0.32518
PolarSurfaceArea	114.35
Druglikeness	0.12307
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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