SCHEMBL187443
C₄H₄O₄·116.070 g/mol·CID 173000668
IUPAC: (Z)-but-2-enedioate;hydron
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
116.070g/mol
Exact Mass
116.010959Da
Monoisotopic Mass
116.010959Da
XLogP
—
Polar Surface Area
80.3Ų
Complexity
108
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
0
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 116.1 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted