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

Formula:C16H9N3O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-2-[5-(2,4-dichlorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one is a drug-like molecule.

MolName	2-[(Z)-2-[5-(2,4-dichlorophenyl)furan-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one
MolecularFormula	C16H9N3O5Cl2
Smiles	[O-][N+](C(C(NC(/C=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1)=N1)=O)=C1O)=O
InChI	InChI=1S/C16H9Cl2N3O5/c17-8-1-4-10(11(18)7-8)12-5-2-9(26-12)3-6-13-19-15(22)14(21(24)25)16(23)20-13/h1-7H,(H2,19,20,22,23)
InChIK	QLDIQSYEQLMWCZ-UHFFFAOYSA-N
TotalMolweight	394.169
Molweight	394.169
MonoisotopicMass	392.991926
CLogP	2.0704
CLogS	-6.95
H Acceptors	8
H Donors	2
TotalSurfaceArea	271.67
Relative PSA	0.34468
PolarSurfaceArea	120.65
Druglikeness	-1.2691
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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