이름: pyridazine dihydrochloride
SMILES:
CCCCc1nnc(OC[C@@H]2CNC[C@H]2COC)cc1-c1ccc(OCc2ccccc2)cc1.Cl.ClMolecular Processing
Molecular formula
C28H37Cl2N3O3
Molecular weight
534.53
Exact mass
533.2212
XLogP
5.77
TPSA
65.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
3
Fraction Csp3
0.429
Molar refractivity
148.57
Supplementary Information
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