Name: 5-(1,1′-biphenyl-4-yl)-4-pentyn-1-ol
SMILES:
OCCCC#Cc1ccc(-c2ccccc2)cc1Molecular Processing
Molecular formula
C17H16O
Molecular weight
236.31
Exact mass
236.1201
XLogP
3.48
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
75.08
Supplementary Information
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