SMILES:
OC(c1c(Br)ccc2c1OCO2)c1cccc2cnccc12Molecular Processing
Molecular formula
C17H12BrNO3
Molecular weight
358.19
Exact mass
357.0001
XLogP
3.81
TPSA
51.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
86.07
Supplementary Information
Récupération des détails…
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