SMILES:
CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)O.ClMolecular Processing
Molecular formula
C18H25ClN4O4
Molecular weight
396.88
Exact mass
396.1564
XLogP
2.49
TPSA
133.58
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.389
Molar refractivity
105.49
Supplementary Information
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