CC(C)[C@@H](C=O)NC(=O)OCc1ccccc1
Name: benzyl [(1S)-1-formyl-2-methylpropyl]carbamate
SMILES: CC(C)[C@@H](C=O)NC(=O)OCc1ccccc1

Molecular Processing

Molecular formula
C13H17NO3
Molecular weight
235.28
Exact mass
235.1208
XLogP
2.14
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
64.45

Supplementary Information

Details werden geladen…

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