5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Formula:C14H13N2O5I Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
MolecularFormula	C14H13N2O5I
Smiles	CN(C(C(C(N1C)=O)=Cc(cc2OC)cc(I)c2O)=O)C1=O
InChI	InChI=1S/C14H13IN2O5/c1-16-12(19)8(13(20)17(2)14(16)21)4-7-5-9(15)11(18)10(6-7)22-3/h4-6,18H,1-3H3
InChIK	WSXQBCPODGHUAX-UHFFFAOYSA-N
TotalMolweight	416.166
Molweight	416.166
MonoisotopicMass	415.986921
CLogP	0.9345
CLogS	-2.418
H Acceptors	7
H Donors	1
TotalSurfaceArea	237.73
Relative PSA	0.29159
PolarSurfaceArea	87.15
Druglikeness	2.7315
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	4
Amides	2
StereoCon

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