Name: {4-[4-(6-chloro-pyridazin-3-yl)-phenyl]-cyclohexyl}-acetic acid ethyl ester
SMILES:
CCOC(=O)CC1CCC(c2ccc(-c3ccc(Cl)nn3)cc2)CC1Molecular Processing
Molecular formula
C20H23ClN2O2
Molecular weight
358.87
Exact mass
358.1448
XLogP
5.02
TPSA
52.08
H-bond donors
0
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
98.43
Supplementary Information
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