Name: 2-amino-5,6-dihydroxy-3,4-dihydro-1(2H)-naphthalenone hydrobromide
SMILES:
Br.NC1CCc2c(ccc(O)c2O)C1=OMolecular Processing
Molecular formula
C10H12BrNO3
Molecular weight
274.11
Exact mass
273.0001
XLogP
1.13
TPSA
83.55
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.3
Molar refractivity
60.72
Supplementary Information
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