SMILES:
C#CCOC(=O)c1ccc(O)c(Cl)c1Molecular Processing
Molecular formula
C10H7ClO3
Molecular weight
210.62
Exact mass
210.0084
XLogP
1.84
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
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
0.1
Molar refractivity
52.23
Supplementary Information
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