이름: 1,8-diacetyl-5-hydroxy-2,3,8,8a-tetrahydropyrrolo[2,3-b]indol-3a(1H)-yl acetate
SMILES:
CC(=O)OC12CCN(C(C)=O)C1N(C(C)=O)c1ccc(O)cc12Molecular Processing
Molecular formula
C16H18N2O5
Molecular weight
318.33
Exact mass
318.1216
XLogP
1.1
TPSA
87.15
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
80.5
Supplementary Information
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