SMILES:
Brc1cnc2[nH]cc3c2c1OC1=C3C=CC=CCC1Molecular Processing
Molecular formula
C15H11BrN2O
Molecular weight
315.17
Exact mass
314.0055
XLogP
4.34
TPSA
37.91
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
19
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
78.86
Supplementary Information
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