SMILES:
CCCC(C(=O)O)c1c(C)nc2cc(C(C)(C)C)nn2c1-c1ccc(C)cc1Molecular Processing
Molecular formula
C23H29N3O2
Molecular weight
379.5
Exact mass
379.226
XLogP
5.28
TPSA
67.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
111.88
Supplementary Information
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