이름: 2-benzylhexahydro-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione
SMILES:
O=C1C2CCNCC2C(=O)N1Cc1ccccc1Molecular Processing
Molecular formula
C14H16N2O2
Molecular weight
244.29
Exact mass
244.1212
XLogP
0.78
TPSA
49.41
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
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
0.429
Molar refractivity
66.47
Supplementary Information
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