Nombre: 1-(3,4-dichlorophenyl)-6-[3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl]hex-5-yn-1-ol
SMILES:
COc1cc(C#CCCCC(O)c2ccc(Cl)c(Cl)c2)ccc1-n1cnc(C)n1Molecular Processing
Molecular formula
C22H21Cl2N3O2
Molecular weight
430.34
Exact mass
429.1011
XLogP
5.15
TPSA
60.17
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
29
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
0.273
Molar refractivity
114.8
Supplementary Information
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