Name: N-(benzyloxycarbonyl)-3-cyano-L-alanine
SMILES:
N#CC[C@H](NC(=O)OCc1ccccc1)C(=O)OMolecular Processing
Molecular formula
C12H12N2O4
Molecular weight
248.24
Exact mass
248.0797
XLogP
1.28
TPSA
99.42
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.42
Supplementary Information
Details werden geladen…
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