3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one

Formula:C17H10N4O4S Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
MolecularFormula	C17H10N4O4S
Smiles	[O-][N+](c1ccc(/C=N\N(C=Nc2c3c(-c4ccccc4)cs2)C3=O)o1)=O
InChI	InChI=1S/C17H10N4O4S/c22-17-15-13(11-4-2-1-3-5-11)9-26-16(15)18-10-20(17)19-8-12-6-7-14(25-12)21(23)24/h1-10H
InChIK	XHPXBAZDGWJAFK-UHFFFAOYSA-N
TotalMolweight	366.356
Molweight	366.356
MonoisotopicMass	366.042276
CLogP	2.7237
CLogS	-6.602
H Acceptors	8
TotalSurfaceArea	266.15
Relative PSA	0.39264
PolarSurfaceArea	132.23
Druglikeness	4.6164
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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