이름: 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-oxidoquinolin-1-ium
SMILES:
CC1=NC(=CC=C1)C2=NN3CCCC3=C2C4=CC=[N+](C5=CC=CC=C45)[O-]Molecular Processing
Molecular formula
C21H18N4O
Molecular weight
342.4
Exact mass
342.1481
XLogP
3.65
TPSA
57.65
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
100.42
Supplementary Information
InChIKey: ZLJHWZCMCMRUFH-UHFFFAOYSA-N
동의어
SCHEMBL413626ZLJHWZCMCMRUFH-UHFFFAOYSA-N4-[2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinoline-1-oxide
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