الاسم: compound
SMILES:
COc1cccc2c1CC(NCCCCN1C(=O)c3ccccc3C1=O)CO2Molecular Processing
Molecular formula
C22H24N2O4
Molecular weight
380.44
Exact mass
380.1736
XLogP
2.66
TPSA
67.87
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
105.03
Supplementary Information
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