6-[(E)-2-anthracen-9-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C20H13N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-[(E)-2-anthracen-9-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-anthracen-9-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C20H13N3O4
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2c(cccc3)c3cc3ccccc23)NC1=O)=O
InChI	InChI=1S/C20H13N3O4/c24-19-18(23(26)27)17(21-20(25)22-19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H,(H2,21,22,24,25)
InChIK	HOTWMRORRVZVOV-UHFFFAOYSA-N
TotalMolweight	359.34
Molweight	359.34
MonoisotopicMass	359.090607
CLogP	2.6848
CLogS	-6.618
H Acceptors	7
H Donors	2
TotalSurfaceArea	260.47
Relative PSA	0.30491
PolarSurfaceArea	104.02
Druglikeness	-2.8827
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.40741
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	1
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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