CC(C)(C)c1cc(C=C2CCN(CCO)C2=O)cc(C(C)(C)C)c1O
SMILES: CC(C)(C)c1cc(C=C2CCN(CCO)C2=O)cc(C(C)(C)C)c1O

Molecular Processing

Molecular formula
C21H31NO3
Molecular weight
345.48
Exact mass
345.2304
XLogP
3.6
TPSA
60.77
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
101.77

Supplementary Information

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