Compound 42636441
O₂Ti-·79.866 g/mol·CID 42636441
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
79.866g/mol
Exact Mass
79.937770Da
Monoisotopic Mass
79.937770Da
XLogP
—
Polar Surface Area
24.1Ų
Complexity
0
Formal Charge
-1
H-Bond Donors
0
H-Bond Acceptors
1
Rotatable Bonds
0
Heavy Atoms
3
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 79.9 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 1
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers6 compounds with formula O₂Ti-
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
oxygen(2-);oxygen-18(2-);titanium(4+)
CID 173116398 · 81.9 g/mol