Name: 1-(4-methoxycarbonylphenyl)-5-propylsulfanyl-pyrazole-4-carboxylic acid
SMILES:
CCCSc1c(C(=O)O)cnn1-c1ccc(C(=O)OC)cc1Molecular Processing
Molecular formula
C15H16N2O4S
Molecular weight
320.37
Exact mass
320.0831
XLogP
2.86
TPSA
81.42
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
82.88
Supplementary Information
Details werden geladen…
An 15 Reaktionen beteiligt→