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

Formula:C16H11N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C16H11N3O5
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(c2ccccc2cc2)c2O)NC1=O)=O
InChI	InChI=1S/C16H11N3O5/c20-13-8-5-9-3-1-2-4-10(9)11(13)6-7-12-14(19(23)24)15(21)18-16(22)17-12/h1-8,20H,(H2,17,18,21,22)
InChIK	BGMPGFDDSDQTFD-UHFFFAOYSA-N
TotalMolweight	325.279
Molweight	325.279
MonoisotopicMass	325.069872
CLogP	1.1447
CLogS	-4.716
H Acceptors	8
H Donors	3
TotalSurfaceArea	232.22
Relative PSA	0.39842
PolarSurfaceArea	124.25
Druglikeness	-2.8502
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Amides	2
AcidicOxygens	1
StereoCon

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