Name: {4-[4-(6-oxo-1,6-dihydro-pyridazin-3-yl)-phenyl]-cyclohexyl}-acetic acid ethyl ester
SMILES:
CCOC(=O)CC1CCC(c2ccc(-c3ccc(=O)[nH]n3)cc2)CC1Molecular Processing
Molecular formula
C20H24N2O3
Molecular weight
340.42
Exact mass
340.1787
XLogP
3.66
TPSA
72.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
96.24
Supplementary Information
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