SMILES:
COc1cc(Cl)nc(OC)n1Molecular Processing
Molecular formula
C6H7ClN2O2
Molecular weight
174.59
Exact mass
174.0196
XLogP
1.15
TPSA
44.24
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
40.15
Supplementary Information
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