SMILES:
O=C(N[C@@H](CCCNCc1ccccn1)C(=O)O)c1ccc(CCNCc2ccccn2)cc1Molecular Processing
Molecular formula
C26H31N5O3
Molecular weight
461.57
Exact mass
461.2427
XLogP
2.56
TPSA
116.24
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
130.16
Supplementary Information
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