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

Formula:C20H11N3O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N3O4S
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1
InChI	InChI=1S/C20H11N3O4S/c21-11-14(20-22-17(12-28-20)19-2-1-9-26-19)10-16-7-8-18(27-16)13-3-5-15(6-4-13)23(24)25/h1-10,12H
InChIK	YQSCEFDHALEVCS-UHFFFAOYSA-N
TotalMolweight	389.39
Molweight	389.39
MonoisotopicMass	389.047027
CLogP	3.1559
CLogS	-5.707
H Acceptors	7
TotalSurfaceArea	296.71
Relative PSA	0.34893
PolarSurfaceArea	137.02
Druglikeness	-6.0683
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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