الاسم: compound
SMILES:
COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCCC3)C1=O)CO2Molecular Processing
Molecular formula
C23H32N2O4
Molecular weight
400.52
Exact mass
400.2362
XLogP
3.08
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
29
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
110.07
Supplementary Information
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