이름: 3-(2-butynyl)-5-methyl-2-(piperazin-1-yl)-3,5-dihydroimidazo[4,5-d]pyridazin-4-one
SMILES:
CC#CCn1c(N2CCNCC2)nc2cnn(C)c(=O)c21Molecular Processing
Molecular formula
C14H18N6O
Molecular weight
286.34
Exact mass
286.1542
XLogP
-0.44
TPSA
67.98
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
81.3
Supplementary Information
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