Nom: Example ( 56d )
SMILES:
CCc1[nH]c(C(=O)N[C@@H]2CCN(c3nc(C)c(C(=O)O)s3)C[C@@H]2OC)nc1ClMolecular Processing
Molecular formula
C17H22ClN5O4S
Molecular weight
427.91
Exact mass
427.1081
XLogP
2.11
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
105.67
Supplementary Information
Récupération des détails…
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