이름: Intermediate 138
SMILES:
Nc1cccc2c(O)ncc(Br)c12Molecular Processing
Molecular formula
C9H7BrN2O
Molecular weight
239.07
Exact mass
237.9742
XLogP
2.29
TPSA
59.14
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
55.52
Supplementary Information
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