Nom: 3-(1-imidazolyl)-2,3-dihydro-7-bromo-4H-1-benzopyran-4-one
SMILES:
O=C1c2ccc(Br)cc2OCC1n1ccnc1Molecular Processing
Molecular formula
C12H9BrN2O2
Molecular weight
293.12
Exact mass
291.9847
XLogP
2.46
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
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
0.167
Molar refractivity
65.23
Supplementary Information
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