SMILES:
Cl.O=C1c2ccc(Br)cc2OCC1n1ccnc1Molecular Processing
Molecular formula
C12H10BrClN2O2
Molecular weight
329.58
Exact mass
327.9614
XLogP
2.88
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.167
Molar refractivity
72.48
Supplementary Information
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