(E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid

Formula:C9H6N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid
MolecularFormula	C9H6N2O4
Smiles	[O-][n+]1c(ccc(/C=C/C(O)=O)c2)c2no1
InChI	InChI=1S/C9H6N2O4/c12-9(13)4-2-6-1-3-8-7(5-6)10-15-11(8)14/h1-5H,(H,12,13)
InChIK	FDLBQNBGPXYHCD-UHFFFAOYSA-N
TotalMolweight	206.157
Molweight	206.157
MonoisotopicMass	206.032758
CLogP	1.4016
CLogS	-2.965
H Acceptors	6
H Donors	1
TotalSurfaceArea	148.96
Relative PSA	0.43958
PolarSurfaceArea	88.79
Druglikeness	0.9295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	2
Aromatic Nitrogens	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid | 2 - (E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid

Request More Details | (E)-3-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)prop-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments