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

Formula:C21H13N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-[4-(2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-(2-nitrophenyl)prop-2-enenitrile
MolecularFormula	C21H13N3O3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2)cs1)=C\c(cccc1)c1[N+]([O-])=O
InChI	InChI=1S/C21H13N3O3S/c22-11-16(9-14-5-1-3-7-19(14)24(25)26)21-23-18(13-28-21)17-10-15-6-2-4-8-20(15)27-12-17/h1-10,13H,12H2
InChIK	DHOIKKPAVYWGKK-UHFFFAOYSA-N
TotalMolweight	387.418
Molweight	387.418
MonoisotopicMass	387.067762
CLogP	2.9543
CLogS	-4.872
H Acceptors	6
TotalSurfaceArea	292.54
Relative PSA	0.29162
PolarSurfaceArea	119.97
Druglikeness	-6.9992
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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