CC1(CC2=C(C=NN2C1)C3=CC(=NC=C3F)Cl)C
Название: 3-(2-chloro-5-fluoro-4-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
SMILES: CC1(CC2=C(C=NN2C1)C3=CC(=NC=C3F)Cl)C

Molecular Processing

Molecular formula
C13H13ClFN3
Molecular weight
265.72
Exact mass
265.0782
XLogP
3.32
TPSA
30.71
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
67.91

Supplementary Information

InChIKey: IHTIHQJTGYDRKU-UHFFFAOYSA-N
Синонимы
SCHEMBL18338545
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