2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide

Formula:C19H13N5O3S Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide is a drug-like molecule.

MolName	2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide
MolecularFormula	C19H13N5O3S
Smiles	NC(c(cccc1)c1N/C=C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)\C#N)=O
InChI	InChI=1S/C19H13N5O3S/c20-9-13(10-22-16-4-2-1-3-15(16)18(21)25)19-23-17(11-28-19)12-5-7-14(8-6-12)24(26)27/h1-8,10-11,22H,(H2,21,25)
InChIK	YVNIMPIEAFLUPC-UHFFFAOYSA-N
TotalMolweight	391.41
Molweight	391.41
MonoisotopicMass	391.07391
CLogP	1.2493
CLogS	-4.932
H Acceptors	8
H Donors	2
TotalSurfaceArea	295.3
Relative PSA	0.38971
PolarSurfaceArea	165.86
Druglikeness	-6.2743
Mutagenic	high
Tumorigenic	low
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	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide | 2 - 2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzamide

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