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

Formula:C19H11N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile
MolecularFormula	C19H11N3O4S
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C19H11N3O4S/c20-9-14(7-13-3-1-2-4-16(13)22(23)24)19-21-15(10-27-19)12-5-6-17-18(8-12)26-11-25-17/h1-8,10H,11H2
InChIK	UZROAOFQEFETJO-UHFFFAOYSA-N
TotalMolweight	377.379
Molweight	377.379
MonoisotopicMass	377.047027
CLogP	3.1027
CLogS	-5.608
H Acceptors	7
TotalSurfaceArea	277.83
Relative PSA	0.34305
PolarSurfaceArea	129.2
Druglikeness	-6.8395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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