COc1cc(NCCCCCC(=O)NCC(C)C)c2nccc(C)c2c1
SMILES: COc1cc(NCCCCCC(=O)NCC(C)C)c2nccc(C)c2c1

Molecular Processing

Molecular formula
C21H31N3O2
Molecular weight
357.5
Exact mass
357.2416
XLogP
4.3
TPSA
63.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
107.84

Supplementary Information

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