SMILES:
Cc1c(C)c2c(c(C)c1N)CC(C)(CN1CCC(C(=O)[O-])CC1)O2Molecular Processing
Molecular formula
C19H27N2O3-
Molecular weight
331.44
Exact mass
331.2027
XLogP
1.35
TPSA
78.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
91.97
Supplementary Information
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