Nombre: Intermediate 42
SMILES:
CC1(C)CC2(CC2)Oc2c(C3CC3)cc(Br)cc21Molecular Processing
Molecular formula
C16H19BrO
Molecular weight
307.23
Exact mass
306.0619
XLogP
4.92
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
76.35
Supplementary Information
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