SMILES:
CC1(C)Oc2ccc(Br)cc2[C@@]2(COC(N)=N2)C12CC2Molecular Processing
Molecular formula
C15H17BrN2O2
Molecular weight
337.22
Exact mass
336.0473
XLogP
2.94
TPSA
56.84
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
79.77
Supplementary Information
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