CC1=CC2=C(N1)C=CC(=C2C(F)(F)F)C#N
名称: 2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
SMILES: CC1=CC2=C(N1)C=CC(=C2C(F)(F)F)C#N

Molecular Processing

Molecular formula
C11H7F3N2
Molecular weight
224.18
Exact mass
224.0561
XLogP
3.37
TPSA
39.58
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
52.75

Supplementary Information

InChIKey: ZHHCDMSISJXBJG-UHFFFAOYSA-N
同義語
2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL2431816
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