SMILES:
COc1ccc2nccc(CC(O)C3CCC(NCc4cc5c(nn4)OCCO5)CO3)c2n1Molecular Processing
Molecular formula
C23H27N5O5
Molecular weight
453.5
Exact mass
453.2012
XLogP
1.44
TPSA
120.74
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
118.42
Supplementary Information
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