이름: 3-(4-bromobutyl)bicyclo[4.2.0]octa-1(6),2,4-triene
SMILES:
BrCCCCc1ccc2c(c1)CC2Molecular Processing
Molecular formula
C12H15Br
Molecular weight
239.16
Exact mass
238.0357
XLogP
3.5
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
4
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
60.58
Supplementary Information
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