(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile

Formula:C17H10N2O3S Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
MolecularFormula	C17H10N2O3S
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\c1ccco1
InChI	InChI=1S/C17H10N2O3S/c18-8-12(6-13-2-1-5-20-13)17-19-14(9-23-17)11-3-4-15-16(7-11)22-10-21-15/h1-7,9H,10H2
InChIK	KQCOVYKSGKCRQP-UHFFFAOYSA-N
TotalMolweight	322.343
Molweight	322.343
MonoisotopicMass	322.041213
CLogP	3.213
CLogS	-4.83
H Acceptors	5
TotalSurfaceArea	243.85
Relative PSA	0.32397
PolarSurfaceArea	96.52
Druglikeness	-1.9984
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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