2-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one

Formula:C16H10N3O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

MolName	2-[(Z)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C16H10N3O5Cl
Smiles	[O-][N+](C(C(NC(/C=C\c1ccc(-c(cc2)ccc2Cl)o1)=N1)=O)=C1O)=O
InChI	InChI=1S/C16H10ClN3O5/c17-10-3-1-9(2-4-10)12-7-5-11(25-12)6-8-13-18-15(21)14(20(23)24)16(22)19-13/h1-8H,(H2,18,19,21,22)
InChIK	PQVDDSFKRIBWRW-UHFFFAOYSA-N
TotalMolweight	359.724
Molweight	359.724
MonoisotopicMass	359.030899
CLogP	1.4644
CLogS	-6.214
H Acceptors	8
H Donors	2
TotalSurfaceArea	256.25
Relative PSA	0.36542
PolarSurfaceArea	120.65
Druglikeness	-1.2691
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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