이름: 3,4-diamino-5-iodo-benzoic acid methyl ester
SMILES:
COC(=O)c1cc(N)c(N)c(I)c1Molecular Processing
Molecular formula
C8H9IN2O2
Molecular weight
292.08
Exact mass
291.9709
XLogP
1.24
TPSA
78.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
59.32
Supplementary Information
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