5-[[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C15H9N3O7 Mutagenic:high Tumorigenic:high Reproductive Effective:high 5-[[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	5-[[5-(4-hydroxy-3-nitrophenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C15H9N3O7
Smiles	[O-][N+](c(cc(cc1)-c2ccc(C=C(C(NC(N3)=O)=O)C3=O)o2)c1O)=O
InChI	InChI=1S/C15H9N3O7/c19-11-3-1-7(5-10(11)18(23)24)12-4-2-8(25-12)6-9-13(20)16-15(22)17-14(9)21/h1-6,19H,(H2,16,17,20,21,22)
InChIK	HFCMASQRVSDDDX-UHFFFAOYSA-N
TotalMolweight	343.25
Molweight	343.25
MonoisotopicMass	343.044052
CLogP	0.0789
CLogS	-4.028
H Acceptors	10
H Donors	3
TotalSurfaceArea	240.11
Relative PSA	0.4984
PolarSurfaceArea	154.46
Druglikeness	-0.26186
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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