5-nitro-6-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrimidine-2,4-dione

Formula:C18H13N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-6-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	5-nitro-6-[(E)-2-(4-phenylphenyl)ethenyl]-1H-pyrimidine-2,4-dione
MolecularFormula	C18H13N3O4
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc2)ccc2-c2ccccc2)NC1=O)=O
InChI	InChI=1S/C18H13N3O4/c22-17-16(21(24)25)15(19-18(23)20-17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H2,19,20,22,23)
InChIK	NPYMEAFZOVNAJW-UHFFFAOYSA-N
TotalMolweight	335.318
Molweight	335.318
MonoisotopicMass	335.090607
CLogP	1.9552
CLogS	-5.492
H Acceptors	7
H Donors	2
TotalSurfaceArea	251.03
Relative PSA	0.31638
PolarSurfaceArea	104.02
Druglikeness	-2.8827
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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