SMILES:
Clc1cncc(OCc2ccc3c(c2)OCO3)n1Molecular Processing
Molecular formula
C12H9ClN2O3
Molecular weight
264.67
Exact mass
264.0302
XLogP
2.44
TPSA
53.47
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
63.94
Supplementary Information
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