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

Formula:C21H11N4O4FS Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-fluoro-2-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-(4-fluoro-2-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C21H11N4O4FS
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\Nc(ccc(F)c1)c1[N+]([O-])=O
InChI	InChI=1S/C21H11FN4O4S/c22-14-5-6-16(18(8-14)26(28)29)24-10-13(9-23)20-25-17(11-31-20)15-7-12-3-1-2-4-19(12)30-21(15)27/h1-8,10-11,24H
InChIK	OVMVDGFUWLMVGO-UHFFFAOYSA-N
TotalMolweight	434.406
Molweight	434.406
MonoisotopicMass	434.048504
CLogP	1.6596
CLogS	-5.114
H Acceptors	8
H Donors	1
TotalSurfaceArea	314.34
Relative PSA	0.34934
PolarSurfaceArea	149.07
Druglikeness	-7.4521
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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