2-[4-bromo-2-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid

Formula:C14H10N3O7Br Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[4-bromo-2-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-bromo-2-[(Z)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetic acid
MolecularFormula	C14H10N3O7Br
Smiles	[O-][N+](C(C(NC(/C=C\c(cc(cc1)Br)c1OCC(O)=O)=N1)=O)=C1O)=O
InChI	InChI=1S/C14H10BrN3O7/c15-8-2-3-9(25-6-11(19)20)7(5-8)1-4-10-16-13(21)12(18(23)24)14(22)17-10/h1-5H,6H2,(H,19,20)(H2,16,17,21,22)
InChIK	OAXNZKDPBZMNPR-UHFFFAOYSA-N
TotalMolweight	412.151
Molweight	412.151
MonoisotopicMass	410.970213
CLogP	-0.2953
CLogS	-4.645
H Acceptors	10
H Donors	3
TotalSurfaceArea	257.87
Relative PSA	0.44856
PolarSurfaceArea	154.04
Druglikeness	-4.06
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Amides	1
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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