6-[(E)-2-(1-benzylindol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione

Formula:C21H16N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(1-benzylindol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-(1-benzylindol-3-yl)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C21H16N4O4
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2cn(Cc3ccccc3)c3c2cccc3)NC1=O)=O
InChI	InChI=1S/C21H16N4O4/c26-20-19(25(28)29)17(22-21(27)23-20)11-10-15-13-24(12-14-6-2-1-3-7-14)18-9-5-4-8-16(15)18/h1-11,13H,12H2,(H2,22,23,26,27)
InChIK	WBTORKRITLRPEX-UHFFFAOYSA-N
TotalMolweight	388.382
Molweight	388.382
MonoisotopicMass	388.117156
CLogP	1.8257
CLogS	-4.384
H Acceptors	8
H Donors	2
TotalSurfaceArea	288.59
Relative PSA	0.29901
PolarSurfaceArea	108.95
Druglikeness	-1.0533
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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