이름: 1-(4-Chlorophenoxy)-butan-2-ol
SMILES:
CCC(O)COc1ccc(Cl)cc1Molecular Processing
Molecular formula
C10H13ClO2
Molecular weight
200.66
Exact mass
200.0604
XLogP
2.49
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
53.24
Supplementary Information
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