SMILES:
O=C1c2cc(Br)cc(Br)c2CCC1n1ccnc1Molecular Processing
Molecular formula
C13H10Br2N2O
Molecular weight
370.04
Exact mass
367.916
XLogP
3.78
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
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
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
75.76
Supplementary Information
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