SMILES:
COc1ccc(-c2cn3c(Br)ccc3c(=O)[nH]2)cc1Molecular Processing
Molecular formula
C14H11BrN2O2
Molecular weight
319.16
Exact mass
318.0004
XLogP
3.07
TPSA
46.5
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
77.71
Supplementary Information
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