SMILES:
O=C(N[C@@H](CCCNC1CCCc2cccnc21)C(=O)O)c1ccc(CNCc2ccccn2)nc1Molecular Processing
Molecular formula
C27H32N6O3
Molecular weight
488.59
Exact mass
488.2536
XLogP
2.79
TPSA
129.13
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
135.06
Supplementary Information
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