CCCCCC(=O)c1ccccc1
Name: n-hexanophenone
SMILES: CCCCCC(=O)c1ccccc1

Molecular Processing

Molecular formula
C12H16O
Molecular weight
176.26
Exact mass
176.1201
XLogP
3.45
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
54.91

Supplementary Information

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