이름: 5-(2-chloro-6-fluorophenyl)-2-(4-ethynylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
SMILES:
C#Cc1ccc(-n2nc(-c3c(F)cccc3Cl)[nH]c2=O)cc1Molecular Processing
Molecular formula
C16H9ClFN3O
Molecular weight
313.72
Exact mass
313.0418
XLogP
3
TPSA
50.68
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
82.52
Supplementary Information
상세 정보 불러오는 중…
21개 반응에 참여→