(5E)-1-(furan-2-ylmethyl)-5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Formula:C23H17N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-1-(furan-2-ylmethyl)-5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-1-(furan-2-ylmethyl)-5-[[2-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MolecularFormula	C23H17N3O7
Smiles	[O-][N+](c1ccc(COc2c(/C=C(\C(NC(N3Cc4ccco4)=O)=O)/C3=O)cccc2)cc1)=O
InChI	InChI=1S/C23H17N3O7/c27-21-19(22(28)25(23(29)24-21)13-18-5-3-11-32-18)12-16-4-1-2-6-20(16)33-14-15-7-9-17(10-8-15)26(30)31/h1-12H,13-14H2,(H,24,27,29)
InChIK	JVEOIRNFBFFHRO-UHFFFAOYSA-N
TotalMolweight	447.402
Molweight	447.402
MonoisotopicMass	447.106652
CLogP	1.6935
CLogS	-4.848
H Acceptors	10
H Donors	1
TotalSurfaceArea	329.88
Relative PSA	0.32939
PolarSurfaceArea	134.67
Druglikeness	0.41551
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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