C#CC1=NC=CC(=C1)OC2=CC(=C(C=C2)N)F
CAS: 1070162-76-3
이름: 4-[(2-ethynyl-4-pyridinyl)oxy]-2-fluoroaniline
SMILES: C#CC1=NC=CC(=C1)OC2=CC(=C(C=C2)N)F

Molecular Processing

Molecular formula
C13H9FN2O
Molecular weight
228.23
Exact mass
228.0699
XLogP
2.58
TPSA
48.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
63.06

Supplementary Information

InChIKey: JKDDIODRWXATEP-UHFFFAOYSA-N
동의어
4-(2-ethynylpyridin-4-yloxy)-2-fluorobenzenamineSCHEMBL824560JKDDIODRWXATEP-UHFFFAOYSA-N1070162-76-3DB-122869
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