SMILES:
CC1(C)Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2Molecular Processing
Molecular formula
C15H17BrN2O3
Molecular weight
353.22
Exact mass
352.0423
XLogP
2.18
TPSA
66.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
21
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
81.35
Supplementary Information
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