5-[(E)-2-phenylethenyl]-1,3-diazinane-2,4,6-trione

Formula:C12H10N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 5-[(E)-2-phenylethenyl]-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName5-[(E)-2-phenylethenyl]-1,3-diazinane-2,4,6-trione
MolecularFormulaC12H10N2O3
SmilesO=C(C(/C=C/c1ccccc1)C(N1)=O)NC1=O
InChIInChI=1S/C12H10N2O3/c15-10-9(11(16)14-12(17)13-10)7-6-8-4-2-1-3-5-8/h1-7,9H,(H2,13,14,15,16,17)
InChIKRUHUUQNDUZBXKJ-UHFFFAOYSA-N
TotalMolweight230.222
Molweight230.222
MonoisotopicMass230.069143
CLogP0.7024
CLogS-2.71
H Acceptors5
H Donors2
TotalSurfaceArea174.93
Relative PSA0.35466
PolarSurfaceArea75.27
Druglikeness3.5633
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.64706
Fragments1
Non HAtoms17
NonCHAtoms5
Electronegative Atoms5
Rotatable Bond2
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms1
Symmetricatoms5
Amides2
StereoCon

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