SMILES:
COc1ccc2ccc(=O)n(CCN3C[C@H](CNCc4cc5c(nn4)OCCO5)[C@H](O)C3)c2c1.ClMolecular Processing
Molecular formula
C24H30ClN5O5
Molecular weight
503.99
Exact mass
503.1935
XLogP
1.08
TPSA
110.97
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.458
Molar refractivity
132.67
Supplementary Information
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