Name: 3-amino-2-(4-chloro-phenylethynyl)-benzoic acid methyl ester
SMILES:
COC(=O)c1cccc(N)c1C#Cc1ccc(Cl)cc1Molecular Processing
Molecular formula
C16H12ClNO2
Molecular weight
285.73
Exact mass
285.0557
XLogP
3.11
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
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
0.062
Molar refractivity
79.63
Supplementary Information
Details werden geladen…
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