(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide

Formula:C17H9N3O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(3,5-dichloro-4-hydroxyphenyl)prop-2-enamide
MolecularFormula	C17H9N3O2Cl2S
Smiles	N#C/C(/C(Nc1nc(cccc2)c2s1)=O)=C\c(cc1Cl)cc(Cl)c1O
InChI	InChI=1S/C17H9Cl2N3O2S/c18-11-6-9(7-12(19)15(11)23)5-10(8-20)16(24)22-17-21-13-3-1-2-4-14(13)25-17/h1-7,23H,(H,21,22,24)
InChIK	YSPNYUXQNXYYTC-UHFFFAOYSA-N
TotalMolweight	390.249
Molweight	390.249
MonoisotopicMass	388.979251
CLogP	4.657
CLogS	-5.913
H Acceptors	5
H Donors	2
TotalSurfaceArea	275.14
Relative PSA	0.29981
PolarSurfaceArea	114.25
Druglikeness	-1.1893
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56
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	3
Amides	1
Aromatic Nitrogens	1
StereoCon

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