SMILES:
CC(C)(C)OC(=O)CCCOc1cnc(Cl)nc1Molecular Processing
Molecular formula
C12H17ClN2O3
Molecular weight
272.73
Exact mass
272.0928
XLogP
2.63
TPSA
61.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
67.62
Supplementary Information
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