2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

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

MolName	2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C21H16N4O4
Smiles	[O-][N+](C(C(NC(/C=C/c1cn(Cc2ccccc2)c2c1cccc2)=N1)=O)=C1O)=O
InChI	InChI=1S/C21H16N4O4/c26-20-19(25(28)29)21(27)23-18(22-20)11-10-15-13-24(12-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-11,13H,12H2,(H2,22,23,26,27)
InChIK	ZMNKZFJQHPIBHL-UHFFFAOYSA-N
TotalMolweight	388.382
Molweight	388.382
MonoisotopicMass	388.117156
CLogP	1.4492
CLogS	-4.996
H Acceptors	8
H Donors	2
TotalSurfaceArea	288.7
Relative PSA	0.29927
PolarSurfaceArea	112.44
Druglikeness	-0.76005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.55172
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	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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