SMILES:
CC(C)c1ccc(-c2noc3c2CCC(C(=O)O)CC3)cc1Molecular Processing
Molecular formula
C18H21NO3
Molecular weight
299.37
Exact mass
299.1521
XLogP
4.04
TPSA
63.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
83.8
Supplementary Information
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