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

Formula:C22H18N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-hydroxy-5-nitro-2-[(E)-2-[1-(2-phenoxyethyl)indol-3-yl]ethenyl]-1H-pyrimidin-6-one is a drug-like molecule.

MolName	4-hydroxy-5-nitro-2-[(E)-2-[1-(2-phenoxyethyl)indol-3-yl]ethenyl]-1H-pyrimidin-6-one
MolecularFormula	C22H18N4O5
Smiles	[O-][N+](C(C(NC(/C=C/c1cn(CCOc2ccccc2)c2c1cccc2)=N1)=O)=C1O)=O
InChI	InChI=1S/C22H18N4O5/c27-21-20(26(29)30)22(28)24-19(23-21)11-10-15-14-25(18-9-5-4-8-17(15)18)12-13-31-16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H2,23,24,27,28)
InChIK	OVCMNUHOFVUXMI-UHFFFAOYSA-N
TotalMolweight	418.408
Molweight	418.408
MonoisotopicMass	418.127721
CLogP	1.3664
CLogS	-5.161
H Acceptors	9
H Donors	2
TotalSurfaceArea	312.46
Relative PSA	0.30852
PolarSurfaceArea	121.67
Druglikeness	-0.39755
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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