이름: 5-iodo-1-naphthalenecarboxylic acid methyl ester
SMILES:
COC(=O)c1cccc2c(I)cccc12Molecular Processing
Molecular formula
C12H9IO2
Molecular weight
312.11
Exact mass
311.9647
XLogP
3.23
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
68
Supplementary Information
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