2-[2-[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-4-nitrophenoxy]-N-phenylacetamide

Formula:C29H18N4O6S Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[2-[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-4-nitrophenoxy]-N-phenylacetamide is not a drug-like molecule.

MolName	2-[2-[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-4-nitrophenoxy]-N-phenylacetamide
MolecularFormula	C29H18N4O6S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c(cc(cc1)[N+]([O-])=O)c1OCC(Nc1ccccc1)=O
InChI	InChI=1S/C29H18N4O6S/c30-15-20(28-32-24(17-40-28)23-14-18-6-4-5-9-26(18)39-29(23)35)12-19-13-22(33(36)37)10-11-25(19)38-16-27(34)31-21-7-2-1-3-8-21/h1-14,17H,16H2,(H,31,34)
InChIK	WHVRWIWOUDCNIN-UHFFFAOYSA-N
TotalMolweight	550.55
Molweight	550.55
MonoisotopicMass	550.094706
CLogP	3.1105
CLogS	-6.146
H Acceptors	10
H Donors	1
TotalSurfaceArea	409.26
Relative PSA	0.32461
PolarSurfaceArea	175.37
Druglikeness	-5.3088
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-4-nitrophenoxy]-N-phenylacetamide | 2 - 2-[2-[(E)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]-4-nitrophenoxy]-N-phenylacetamide

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