N[C@@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1
Name: benzyl N-[(1S,3R)-3-aminocyclohexyl]carbamate
SMILES: N[C@@H]1CCC[C@H](NC(=O)OCc2ccccc2)C1

Molecular Processing

Molecular formula
C14H20N2O2
Molecular weight
248.33
Exact mass
248.1525
XLogP
2.18
TPSA
64.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
69.99

Supplementary Information

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