Name: benzyl 2-(chlorocarbonyl)-2-methylpyrrolidine-1-carboxylate
SMILES:
CC1(C(=O)Cl)CCCN1C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C14H16ClNO3
Molecular weight
281.74
Exact mass
281.0819
XLogP
2.94
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
71.83
Supplementary Information
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