N#CC1=C(F)C(C#N)C(F)(Nc2ccccc2)C=C1F
SMILES: N#CC1=C(F)C(C#N)C(F)(Nc2ccccc2)C=C1F

Molecular Processing

Molecular formula
C14H8F3N3
Molecular weight
275.23
Exact mass
275.067
XLogP
3.52
TPSA
59.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
65.94

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→