(E)-3-(furan-2-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

Formula:C14H12N2OS Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(furan-2-yl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
MolecularFormula	C14H12N2OS
Smiles	N#C/C(/c1nc(CCCC2)c2s1)=C\c1ccco1
InChI	InChI=1S/C14H12N2OS/c15-9-10(8-11-4-3-7-17-11)14-16-12-5-1-2-6-13(12)18-14/h3-4,7-8H,1-2,5-6H2
InChIK	DQRMAMIDQYYNGX-UHFFFAOYSA-N
TotalMolweight	256.328
Molweight	256.328
MonoisotopicMass	256.067033
CLogP	2.6444
CLogS	-3.567
H Acceptors	3
TotalSurfaceArea	205.37
Relative PSA	0.28729
PolarSurfaceArea	78.06
Druglikeness	-7.6257
Mutagenic	high
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	2
Aromatic Atoms	10
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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