6-[(E)-2-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C23H16N3O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-[(E)-2-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C23H16N3O5Br
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c(cc(cc2)Br)c2OCc2cccc3ccccc23)NC1=O)=O
InChI	InChI=1S/C23H16BrN3O5/c24-17-9-11-20(32-13-16-6-3-5-14-4-1-2-7-18(14)16)15(12-17)8-10-19-21(27(30)31)22(28)26-23(29)25-19/h1-12H,13H2,(H2,25,26,28,29)
InChIK	UGALBRWHQMXTTC-UHFFFAOYSA-N
TotalMolweight	494.3
Molweight	494.3
MonoisotopicMass	493.027333
CLogP	3.5637
CLogS	-7.187
H Acceptors	8
H Donors	2
TotalSurfaceArea	328.02
Relative PSA	0.27261
PolarSurfaceArea	113.25
Druglikeness	-4.796
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.46875
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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