SMILES:
CCc1[nH]c(C(=O)NC2CCN(c3nc(C(=O)O)c(C(C)=O)s3)CC2OC)nc1ClMolecular Processing
Molecular formula
C18H22ClN5O5S
Molecular weight
455.92
Exact mass
455.103
XLogP
2.01
TPSA
137.51
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
110.93
Supplementary Information
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