SMILES:
COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.C[O-].ClMolecular Processing
Molecular formula
C20H29ClN5O5-
Molecular weight
454.94
Exact mass
454.1863
XLogP
0.46
TPSA
126.1
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
11
Covalent units
3
Fraction Csp3
0.55
Molar refractivity
117.99
Supplementary Information
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