CC(=O)c1cc2c(c(C(C)(C)C)c1)OCCN2CC#N
名称: [6-acetyl-8-(tert-butyl)-3,4-dihydro-2H-1,4-benzoxazin-4-yl]methyl cyanide
SMILES: CC(=O)c1cc2c(c(C(C)(C)C)c1)OCCN2CC#N

Molecular Processing

Molecular formula
C16H20N2O2
Molecular weight
272.35
Exact mass
272.1525
XLogP
2.91
TPSA
53.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
78.47

Supplementary Information

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