이름: 4-(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl)-6-methyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
SMILES:
CN1C(=O)c2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=OMolecular Processing
Molecular formula
C18H13FN4O2
Molecular weight
336.33
Exact mass
336.1023
XLogP
2.51
TPSA
68.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
88.26
Supplementary Information
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