SMILES:
O=C(C1CC1)N1CC[C@@H](Cc2nn(CCO)c(=O)n2-c2ccc(-c3ccc4occc4c3)cc2)C1Molecular Processing
Molecular formula
C27H28N4O4
Molecular weight
472.55
Exact mass
472.2111
XLogP
3.24
TPSA
93.5
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
131.23
Supplementary Information
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