الاسم: Methyl 4-acetylamino-5-bromo-3-(3,3-dimethyl-1-butynyl)salicylate
SMILES:
COC(=O)c1cc(Br)c(NC(C)=O)c(C#CC(C)(C)C)c1OMolecular Processing
Molecular formula
C16H18BrNO4
Molecular weight
368.23
Exact mass
367.0419
XLogP
3.3
TPSA
75.63
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
87.78
Supplementary Information
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