Name: 1-chloro-3-hydroxy-4-octyne
SMILES:
CCCC#CC(O)CCClMolecular Processing
Molecular formula
C8H13ClO
Molecular weight
160.64
Exact mass
160.0655
XLogP
1.78
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
44.03
Supplementary Information
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