이름: (Z)-3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl 5-[(5-fluoro-2-oxoindolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILES:
Cc1c(C(=O)[O-])c(C)n(-n2nnc3cccnc32)c1/C=C1\C(=O)Nc2ccc(F)cc21Molecular Processing
Molecular formula
C21H14FN6O3-
Molecular weight
417.38
Exact mass
417.1117
XLogP
1.55
TPSA
117.76
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
-1
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.095
Molar refractivity
107.26
Supplementary Information
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