이름: tert-Butyl 4-cyanophenethylcarbamate
SMILES:
CC(C)(C)OC(=O)NCCc1ccc(C#N)cc1Molecular Processing
Molecular formula
C14H18N2O2
Molecular weight
246.31
Exact mass
246.1368
XLogP
2.63
TPSA
62.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
69.1
Supplementary Information
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