5-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,3-diazinane-2,4,6-trione

Formula:C11H8N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	5-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1,3-diazinane-2,4,6-trione
MolecularFormula	C11H8N2O4
Smiles	O=C(C(/C=C(\C=CC=C1)/C1=O)C(N1)=O)NC1=O
InChI	InChI=1S/C11H8N2O4/c14-8-4-2-1-3-6(8)5-7-9(15)12-11(17)13-10(7)16/h1-5,7H,(H2,12,13,15,16,17)
InChIK	AVRFBBWDPAHCPV-UHFFFAOYSA-N
TotalMolweight	232.195
Molweight	232.195
MonoisotopicMass	232.048408
CLogP	-0.6242
CLogS	-1.698
H Acceptors	6
H Donors	2
TotalSurfaceArea	170.63
Relative PSA	0.44002
PolarSurfaceArea	92.34
Druglikeness	4.9632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	1
Rings Closures	2
Small Rings	2
Sp3Atoms	1
Symmetricatoms	3
Amides	2
StereoCon

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