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

Formula:C19H12N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-nitroanilino)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(3-nitroanilino)prop-2-enenitrile
MolecularFormula	C19H12N4O4S
Smiles	N#C/C(/c1nc(-c(cc2)cc3c2OCO3)cs1)=C\Nc1cc([N+]([O-])=O)ccc1
InChI	InChI=1S/C19H12N4O4S/c20-8-13(9-21-14-2-1-3-15(7-14)23(24)25)19-22-16(10-28-19)12-4-5-17-18(6-12)27-11-26-17/h1-7,9-10,21H,11H2
InChIK	DOUZNRWIAPCQDW-UHFFFAOYSA-N
TotalMolweight	392.394
Molweight	392.394
MonoisotopicMass	392.057926
CLogP	2.2734
CLogS	-5.554
H Acceptors	8
H Donors	1
TotalSurfaceArea	289.29
Relative PSA	0.36908
PolarSurfaceArea	141.23
Druglikeness	-6.891
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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