Name: acid
SMILES:
O=C(O)CC1CCc2c1[nH]c1c(Br)cc(F)cc21Molecular Processing
Molecular formula
C13H11BrFNO2
Molecular weight
312.14
Exact mass
310.9957
XLogP
3.57
TPSA
53.09
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
69.27
Supplementary Information
Details werden geladen…
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