이름: 4-(5-hydroxy-3-trifluoromethyl-pyrazol-1-yl)-benzoic acid ethyl ester
SMILES:
CCOC(=O)c1ccc(-n2nc(C(F)(F)F)cc2O)cc1Molecular Processing
Molecular formula
C13H11F3N2O3
Molecular weight
300.24
Exact mass
300.0722
XLogP
2.77
TPSA
64.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
66.19
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→