Name: 4-Acetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-10-carboxylic acid tert-butyl ester
SMILES:
CC(=O)c1ccc2c(c1)C1CC2CN(C(=O)OC(C)(C)C)C1Molecular Processing
Molecular formula
C18H23NO3
Molecular weight
301.39
Exact mass
301.1678
XLogP
3.71
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
84.35
Supplementary Information
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