SMILES:
C1=C(c2ccccc2)CCCCC1Molecular Processing
Molecular formula
C13H16
Molecular weight
172.27
Exact mass
172.1252
XLogP
4.03
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
0
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
57.5
Supplementary Information
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