(2E)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile

Formula:C15H13N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile is a drug-like molecule.

MolName	(2E)-2-(4-phenyl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylideneacetonitrile
MolecularFormula	C15H13N3S
Smiles	N#C/C(/c1nc(-c2ccccc2)cs1)=C1\NCCC1
InChI	InChI=1S/C15H13N3S/c16-9-12(13-7-4-8-17-13)15-18-14(10-19-15)11-5-2-1-3-6-11/h1-3,5-6,10,17H,4,7-8H2
InChIK	BHRZLQXUNCBBJD-UHFFFAOYSA-N
TotalMolweight	267.355
Molweight	267.355
MonoisotopicMass	267.083017
CLogP	2.4328
CLogS	-3.518
H Acceptors	3
H Donors	1
TotalSurfaceArea	211.59
Relative PSA	0.26632
PolarSurfaceArea	76.95
Druglikeness	-3.1008
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	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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