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

Formula:C16H8N4O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-3-(5-nitrofuran-2-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(5-nitrofuran-2-yl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C16H8N4O5S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2[N+]([O-])=O)cs1)=C/c1ccc([N+]([O-])=O)o1
InChI	InChI=1S/C16H8N4O5S/c17-8-11(7-13-5-6-15(25-13)20(23)24)16-18-14(9-26-16)10-1-3-12(4-2-10)19(21)22/h1-7,9H
InChIK	VBRNCJZZVULBRX-UHFFFAOYSA-N
TotalMolweight	368.329
Molweight	368.329
MonoisotopicMass	368.021541
CLogP	1.6098
CLogS	-5.564
H Acceptors	9
TotalSurfaceArea	270.93
Relative PSA	0.44233
PolarSurfaceArea	169.7
Druglikeness	-4.9078
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon

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