SMILES:
CCCC1CCC(CBr)(c2ccc(Cl)cc2)O1Molecular Processing
Molecular formula
C14H18BrClO
Molecular weight
317.65
Exact mass
316.023
XLogP
4.91
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
75.94
Supplementary Information
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