SMILES:
CC(C)(O)c1ncc(CO)cc1ClMolecular Processing
Molecular formula
C9H12ClNO2
Molecular weight
201.65
Exact mass
201.0557
XLogP
1.45
TPSA
53.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
50.41
Supplementary Information
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