이름: 6-(N′-tert-Butoxycarbonylhydrazino)-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl ester
SMILES:
COC(=O)c1c(NNC(=O)OC(C)(C)C)cc(F)c(F)c1Nc1ccccc1ClMolecular Processing
Molecular formula
C19H20ClF2N3O4
Molecular weight
427.84
Exact mass
427.111
XLogP
5
TPSA
88.69
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
29
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
105.42
Supplementary Information
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