이름: N-[(benzyloxy)carbonyl]-3-(pyrazol-1-yl)-L-alanine
SMILES:
O=C(N[C@@H](Cn1cccn1)C(=O)O)OCc1ccccc1Molecular Processing
Molecular formula
C14H15N3O4
Molecular weight
289.29
Exact mass
289.1063
XLogP
1.26
TPSA
93.45
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
73.41
Supplementary Information
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