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C7H11N2O3 | Cheminformatics
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(E)-2-hydroxy-2-(oxan-4-yloxy)ethenediazonium

Molecular Formula : C7H11N2O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-hydroxy-2-(oxan-4-yloxy)ethenediazonium is a drug-like molecule.

MolName : (E)-2-hydroxy-2-(oxan-4-yloxy)ethenediazonium

MolecularFormula : C7H11N2O3

Smiles : N#[N+]/C=C(\O)/OC1CCOCC1

InChI : InChI=1S/C7H10N2O3/c8-9-5-7(10)12-6-1-3-11-4-2-6/h5-6H,1-4H2/p+1

InChIK : YDWUKWCUOJKCJG-UHFFFAOYSA-O

TotalMolweight : 171.175

Molweight : 171.175

MonoisotopicMass : 171.076968

CLogP : -0.219

CLogS : -2.556

H Acceptors : 5

H Donors : 1

TotalSurfaceArea : 143.17

Relative PSA : 0.44995

PolarSurfaceArea : 66.84

Druglikeness : -6.1796

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.75

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 1

Small Rings : 1

Sp3Atoms : 8

Symmetricatoms : 2

StereoCon :

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