SMILES:
COc1cc2ccnc(Cl)c2cc1BrMolecular Processing
Molecular formula
C10H7BrClNO
Molecular weight
272.53
Exact mass
270.94
XLogP
3.66
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
61.01
Supplementary Information
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