이름: 5-(4-Chloro-phenyl)-2-methyl-6-(4-trifluoromethyl-phenyl)-nicotinic acid ethyl ester
SMILES:
CCOC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(C(F)(F)F)cc2)nc1CMolecular Processing
Molecular formula
C22H17ClF3NO2
Molecular weight
419.83
Exact mass
419.09
XLogP
6.57
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
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
0.182
Molar refractivity
105.81
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→