(E)-3-(2-nitrophenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile

Formula:C16H9N3O2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(2-nitrophenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(2-nitrophenyl)-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enenitrile
MolecularFormula	C16H9N3O2S2
Smiles	N#C/C(/c1nc(-c2cccs2)cs1)=C\c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C16H9N3O2S2/c17-9-12(8-11-4-1-2-5-14(11)19(20)21)16-18-13(10-23-16)15-6-3-7-22-15/h1-8,10H
InChIK	KLAJTELFLFSIKY-UHFFFAOYSA-N
TotalMolweight	339.398
Molweight	339.398
MonoisotopicMass	339.013617
CLogP	3.0148
CLogS	-4.818
H Acceptors	5
TotalSurfaceArea	253.51
Relative PSA	0.37738
PolarSurfaceArea	138.98
Druglikeness	-5.9232
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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