2-[4-bromo-2-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetonitrile

Formula:C14H9N4O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[4-bromo-2-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetonitrile is a drug-like molecule.

MolName	2-[4-bromo-2-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]phenoxy]acetonitrile
MolecularFormula	C14H9N4O5Br
Smiles	N#CCOc(cc1)c(/C=C/C(NC(NC2=O)=O)=C2[N+]([O-])=O)cc1Br
InChI	InChI=1S/C14H9BrN4O5/c15-9-2-4-11(24-6-5-16)8(7-9)1-3-10-12(19(22)23)13(20)18-14(21)17-10/h1-4,7H,6H2,(H2,17,18,20,21)
InChIK	ZKYNMHNFHOXSDN-UHFFFAOYSA-N
TotalMolweight	393.152
Molweight	393.152
MonoisotopicMass	391.975632
CLogP	0.6031
CLogS	-4.706
H Acceptors	9
H Donors	2
TotalSurfaceArea	255.37
Relative PSA	0.40326
PolarSurfaceArea	137.04
Druglikeness	-9.076
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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