SMILES:
O=C1OCCC1=CNCc1ccccc1ClMolecular Processing
Molecular formula
C12H12ClNO2
Molecular weight
237.69
Exact mass
237.0557
XLogP
2.26
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
61.95
Supplementary Information
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