Name: 6-(aminomethyl)-2,2-dimethyl-4H-1,3-benzodioxin-4-one acetate
SMILES:
CC(=O)O.CC1(C)OC(=O)c2cc(CN)ccc2O1Molecular Processing
Molecular formula
C13H17NO5
Molecular weight
267.28
Exact mass
267.1107
XLogP
1.52
TPSA
98.85
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.385
Molar refractivity
67.77
Supplementary Information
Details werden geladen…
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