الاسم: Example ( 1g )
SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2OC)nc1ClMolecular Processing
Molecular formula
C17H27ClN4O4
Molecular weight
386.88
Exact mass
386.1721
XLogP
2.38
TPSA
96.55
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.706
Molar refractivity
97.45
Supplementary Information
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