(Z)-2-(1,3-benzothiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile

Formula:C14H9N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-(1H-pyrrol-2-yl)prop-2-enenitrile
MolecularFormula	C14H9N3S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C/c1ccc[nH]1
InChI	InChI=1S/C14H9N3S/c15-9-10(8-11-4-3-7-16-11)14-17-12-5-1-2-6-13(12)18-14/h1-8,16H
InChIK	ZOIYOOIRIOLEDZ-UHFFFAOYSA-N
TotalMolweight	251.312
Molweight	251.312
MonoisotopicMass	251.051717
CLogP	2.1163
CLogS	-2.941
H Acceptors	3
H Donors	1
TotalSurfaceArea	198.31
Relative PSA	0.29691
PolarSurfaceArea	80.71
Druglikeness	-2.2709
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Aromatic Nitrogens	2
StereoCon

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