名称: α-amino nitrile
SMILES:
N#CC(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc(OCc2ccccc2)c1Molecular Processing
Molecular formula
C27H21ClN2O2
Molecular weight
440.93
Exact mass
440.1292
XLogP
7.39
TPSA
54.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.074
Molar refractivity
127.16
Supplementary Information
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