이름: 5-(4-Chloro-phenyl)-2-methyl-6-(4-trifluoromethyl-phenyl)-nicotinic acid
SMILES:
Cc1nc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(Cl)cc2)cc1C(=O)OMolecular Processing
Molecular formula
C20H13ClF3NO2
Molecular weight
391.78
Exact mass
391.0587
XLogP
6.09
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
96.82
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→