2-[2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetonitrile

Formula:C14H10N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetonitrile is a drug-like molecule.

MolName	2-[2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetonitrile
MolecularFormula	C14H10N4O5
Smiles	N#CCOc1c(/C=C/C(NC2=O)=NC(O)=C2[N+]([O-])=O)cccc1
InChI	InChI=1S/C14H10N4O5/c15-7-8-23-10-4-2-1-3-9(10)5-6-11-16-13(19)12(18(21)22)14(20)17-11/h1-6H,8H2,(H2,16,17,19,20)
InChIK	ZHFJNLHUJGOQHI-UHFFFAOYSA-N
TotalMolweight	314.256
Molweight	314.256
MonoisotopicMass	314.065121
CLogP	-0.4986
CLogS	-4.484
H Acceptors	9
H Donors	2
TotalSurfaceArea	236.85
Relative PSA	0.43525
PolarSurfaceArea	140.53
Druglikeness	-6.9837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	polar activated DB
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Amides	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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