SMILES:
CCC(=O)NC1CC(n2cnc3c(N)nc(Cl)nc32)C(O)C1OMolecular Processing
Molecular formula
C13H17ClN6O3
Molecular weight
340.77
Exact mass
340.1051
XLogP
-0.38
TPSA
139.18
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
82.63
Supplementary Information
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