Name: 4-(benzoxazol-2-yl)-1-bromobenzocyclobutene
SMILES:
BrC1Cc2cccc(-c3nc4ccccc4o3)c21Molecular Processing
Molecular formula
C15H10BrNO
Molecular weight
300.16
Exact mass
298.9946
XLogP
4.49
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
74.82
Supplementary Information
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