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

Formula:C16H10N3O5I Mutagenic:low Tumorigenic:high Reproductive Effective:none 6-[(E)-2-[5-(4-iodophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione is a drug-like molecule.

MolName	6-[(E)-2-[5-(4-iodophenyl)furan-2-yl]ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
MolecularFormula	C16H10N3O5I
Smiles	[O-][N+](C(C(N1)=O)=C(/C=C/c2ccc(-c(cc3)ccc3I)o2)NC1=O)=O
InChI	InChI=1S/C16H10IN3O5/c17-10-3-1-9(2-4-10)13-8-6-11(25-13)5-7-12-14(20(23)24)15(21)19-16(22)18-12/h1-8H,(H2,18,19,21,22)
InChIK	QMAGHDNXGRFESA-UHFFFAOYSA-N
TotalMolweight	451.171
Molweight	451.171
MonoisotopicMass	450.96652
CLogP	1.672
CLogS	-5.882
H Acceptors	8
H Donors	2
TotalSurfaceArea	267
Relative PSA	0.3503
PolarSurfaceArea	117.16
Druglikeness	-1.1499
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
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	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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