4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzamide

Formula:C21H13N3O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzamide is a drug-like molecule.

MolName	4-[5-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzamide
MolecularFormula	C21H13N3O2S
Smiles	NC(c(cc1)ccc1-c1ccc(/C=C(\c2nc(cccc3)c3s2)/C#N)o1)=O
InChI	InChI=1S/C21H13N3O2S/c22-12-15(21-24-17-3-1-2-4-19(17)27-21)11-16-9-10-18(26-16)13-5-7-14(8-6-13)20(23)25/h1-11H,(H2,23,25)
InChIK	UXFVJDGNCDWACJ-UHFFFAOYSA-N
TotalMolweight	371.419
Molweight	371.419
MonoisotopicMass	371.072847
CLogP	3.366
CLogS	-5.442
H Acceptors	5
H Donors	1
TotalSurfaceArea	284.46
Relative PSA	0.30693
PolarSurfaceArea	121.15
Druglikeness	-1.3595
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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