5-[(E)-2-(3-bromo-4-hydroxyphenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Formula:C13H8N5O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-2-(3-bromo-4-hydroxyphenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-[(E)-2-(3-bromo-4-hydroxyphenyl)ethenyl]-6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
MolecularFormula	C13H8N5O4Br
Smiles	[O-][N+](C1=C(/C=C/c(cc2)cc(Br)c2O)N=C2N=CNN2C1=O)=O
InChI	InChI=1S/C13H8BrN5O4/c14-8-5-7(2-4-10(8)20)1-3-9-11(19(22)23)12(21)18-13(17-9)15-6-16-18/h1-6,20H,(H,15,16,17)
InChIK	GIDAXWXWDFHJBH-UHFFFAOYSA-N
TotalMolweight	378.142
Molweight	378.142
MonoisotopicMass	376.975966
CLogP	-0.7968
CLogS	-4.6
H Acceptors	9
H Donors	2
TotalSurfaceArea	231.57
Relative PSA	0.40847
PolarSurfaceArea	123.11
Druglikeness	-3.0878
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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