SMILES:
O=C1COCCN1c1ccc2c(c1)OC[C@@H]1[C@H](CO)OC(=O)N21Molecular Processing
Molecular formula
C15H16N2O6
Molecular weight
320.3
Exact mass
320.1008
XLogP
0.13
TPSA
88.54
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
78.73
Supplementary Information
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