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

Formula:C16H11N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-naphthalen-2-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-naphthalen-2-ylethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C16H11N3O4
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2cc3ccccc3cc2)NC1=O)=O
InChI	InChI=1S/C16H11N3O4/c20-15-14(19(22)23)13(17-16(21)18-15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H2,17,18,20,21)
InChIK	VYABZHHAVIWURU-UHFFFAOYSA-N
TotalMolweight	309.28
Molweight	309.28
MonoisotopicMass	309.074957
CLogP	1.4904
CLogS	-5.012
H Acceptors	7
H Donors	2
TotalSurfaceArea	225.87
Relative PSA	0.35162
PolarSurfaceArea	104.02
Druglikeness	-2.8827
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Amides	2
AcidicOxygens	1
StereoCon

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