SMILES:
COc1cccc(C(O)CCCCl)c1OCMolecular Processing
Molecular formula
C12H17ClO3
Molecular weight
244.72
Exact mass
244.0866
XLogP
2.76
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.46
Supplementary Information
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