SMILES:
CC(C)(NCCCn1ccnc1)c1ccc(Cl)cc1.O.O.O=C(O)C(O)C(O)C(=O)OMolecular Processing
Molecular formula
C19H30ClN3O8
Molecular weight
463.92
Exact mass
463.1721
XLogP
-0.32
TPSA
207.91
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
4
Fraction Csp3
0.421
Molar refractivity
113.84
Supplementary Information
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