SMILES:
O=C(O)c1cc(Cl)cc2c1OC1CCCCC21Molecular Processing
Molecular formula
C13H13ClO3
Molecular weight
252.7
Exact mass
252.0553
XLogP
3.46
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.04
Supplementary Information
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