Name: 4-(4-chlorophenyl)-3-butyn-1-ol
SMILES:
OCCC#Cc1ccc(Cl)cc1Molecular Processing
Molecular formula
C10H9ClO
Molecular weight
180.63
Exact mass
180.0342
XLogP
2.07
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
50.03
Supplementary Information
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