COc1nc(Cl)ncc1Br
SMILES: COc1nc(Cl)ncc1Br

Molecular Processing

Molecular formula
C5H4BrClN2O
Molecular weight
223.46
Exact mass
221.9196
XLogP
1.9
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
41.29

Supplementary Information

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