(E)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C25H13N3O5S Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C25H13N3O5S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c1ccc(-c2cc([N+]([O-])=O)ccc2)o1
InChI	InChI=1S/C25H13N3O5S/c26-13-17(11-19-8-9-23(32-19)15-5-3-6-18(10-15)28(30)31)24-27-21(14-34-24)20-12-16-4-1-2-7-22(16)33-25(20)29/h1-12,14H
InChIK	HFBOAFFWGWYRHH-UHFFFAOYSA-N
TotalMolweight	467.46
Molweight	467.46
MonoisotopicMass	467.057592
CLogP	3.327
CLogS	-6.314
H Acceptors	8
TotalSurfaceArea	345.98
Relative PSA	0.32505
PolarSurfaceArea	150.18
Druglikeness	-5.4029
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - (E)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[5-(3-nitrophenyl)furan-2-yl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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