SCHEMBL3919201

O₂Ti·81.866 g/mol·CID 173116398

IUPAC: oxygen(2-);oxygen-18(2-);titanium(4+)

Molecular Structure

Molecular Weight

81.866g/mol

Exact Mass

81.942015Da

Monoisotopic Mass

81.942015Da

XLogP

—

Polar Surface Area

2.0Å²

Complexity

Formal Charge

H-Bond Donors

H-Bond Acceptors

Rotatable Bonds

Heavy Atoms

Stereo Centers

Bond Stereo

✓ 81.9 g/mol

MW ≤ 500

? —

LogP ≤ 5

✓ 0

H-bond donors ≤ 5

✓ 2

H-bond acceptors ≤ 10

Passes all rules — good oral bioavailability predicted

InChI

InChI=1S/2O.Ti/q2*-2;+4/i1+2;;

dioxotitanium

CID 26042 · 79.9 g/mol

bis(oxygen(2-));titanium(4+)

CID 162651 · 79.9 g/mol

bis(oxygen(2-));titanium(2+)

CID 154734330 · 79.9 g/mol

oxotitanium(2+);oxygen(2-)

CID 159147760 · 79.9 g/mol

molecular oxygen;titanium

CID 160142709 · 79.9 g/mol

CID 42636441

CID 42636441 · 79.9 g/mol