Name: 5-phenoxymethyl-2H-pyrazole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc(COc2ccccc2)n[nH]1Molecular Processing
Molecular formula
C13H14N2O3
Molecular weight
246.27
Exact mass
246.1004
XLogP
2.17
TPSA
64.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
65.32
Supplementary Information
Details werden geladen…
An 33 Reaktionen beteiligt→