الاسم: trans-1-(4-Hydroxy-cyclohexyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cnn([C@H]2CC[C@H](O)CC2)c1C(F)(F)FMolecular Processing
Molecular formula
C13H17F3N2O3
Molecular weight
306.28
Exact mass
306.1191
XLogP
2.55
TPSA
64.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
66.7
Supplementary Information
جارٍ جلب التفاصيل…
مشارك في 2 تفاعل→