SMILES:
CC12COCCN1c1nc(Cl)ncc1N(CC1CCOC1)C2=OMolecular Processing
Molecular formula
C15H19ClN4O3
Molecular weight
338.8
Exact mass
338.1146
XLogP
1.11
TPSA
67.79
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
84.89
Supplementary Information
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