이름: 4-chloro-2-[2-(3,5-dimethylphenyl)-acetylamino]-5-iodo-benzoic acid methyl ester
SMILES:
COC(=O)c1cc(I)c(Cl)cc1NC(=O)Cc1cc(C)cc(C)c1Molecular Processing
Molecular formula
C18H17ClINO3
Molecular weight
457.7
Exact mass
456.9942
XLogP
4.53
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
103.76
Supplementary Information
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