SMILES:
COC(=O)/C=C/c1ccc([C@H]2CCCN2CCc2c(C)n[nH]c2C)cc1Molecular Processing
Molecular formula
C21H27N3O2
Molecular weight
353.47
Exact mass
353.2103
XLogP
3.59
TPSA
58.22
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
102.81
Supplementary Information
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