이름: hexylbenzene
SMILES:
CCCCCCc1ccccc1Molecular Processing
Molecular formula
C12H18
Molecular weight
162.28
Exact mass
162.1409
XLogP
3.81
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
5
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
54.29
Supplementary Information
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