이름: 5-benzyl-4,6-dioxo-octahydropyrrolo[3,4-b]pyrrole
SMILES:
O=C1C2CCNC2C(=O)N1Cc1ccccc1Molecular Processing
Molecular formula
C13H14N2O2
Molecular weight
230.27
Exact mass
230.1055
XLogP
0.53
TPSA
49.41
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
61.9
Supplementary Information
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