O=C(O)c1cccc2c(Br)c3ccccc3cc12
Name: 10-Bromo-1-anthracenecarboxylic acid
SMILES: O=C(O)c1cccc2c(Br)c3ccccc3cc12

Molecular Processing

Molecular formula
C15H9BrO2
Molecular weight
301.14
Exact mass
299.9786
XLogP
4.45
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
76.11

Supplementary Information

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