Name: ester
SMILES:
CCCCCCC(Oc1ccc(Br)cc1)c1ccc(C(=O)OC)cc1Molecular Processing
Molecular formula
C21H25BrO3
Molecular weight
405.33
Exact mass
404.0987
XLogP
6.33
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
104.05
Supplementary Information
Details werden geladen…
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