SMILES:
C=CCOCC(C)OC(=O)COc1ccc(Cl)c2cccnc12Molecular Processing
Molecular formula
C17H18ClNO4
Molecular weight
335.79
Exact mass
335.0924
XLogP
3.4
TPSA
57.65
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
88.82
Supplementary Information
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