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

Formula:C15H13N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-pyridin-4-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-pyridin-4-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
MolecularFormula	C15H13N3S
Smiles	N#C/C(/c1nc(CCCC2)c2s1)=C\c1ccncc1
InChI	InChI=1S/C15H13N3S/c16-10-12(9-11-5-7-17-8-6-11)15-18-13-3-1-2-4-14(13)19-15/h5-9H,1-4H2
InChIK	LANBHYWXCZWGKY-UHFFFAOYSA-N
TotalMolweight	267.355
Molweight	267.355
MonoisotopicMass	267.083017
CLogP	2.4548
CLogS	-3.09
H Acceptors	3
TotalSurfaceArea	214.44
Relative PSA	0.26049
PolarSurfaceArea	77.81
Druglikeness	-7.4018
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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