Название: 2-(3,4-dichlorophenyl)-7-[3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl]hept-6-yn-2-ol
SMILES:
COc1cc(C#CCCCC(C)(O)c2ccc(Cl)c(Cl)c2)ccc1-n1cnc(C)n1Molecular Processing
Molecular formula
C23H23Cl2N3O2
Molecular weight
444.36
Exact mass
443.1167
XLogP
5.32
TPSA
60.17
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
119.41
Supplementary Information
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