Pefloxacin

Compound Structure

CAS Number: 70458-92-3

Molecular Mass: 333.36 g/mol

Formula: C17H20FN3O3

Smiles: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 293.15 - 0.0012 [170]
1-Octanol 298.15 - 0.002 [170]
1-Octanol 303.15 - 0.0035 [170]
1-Octanol 308.15 - 0.00565 [170]
1-Octanol 313.15 - 0.009 [170]
1-Octanol 318.15 - 0.014 [170]
1-Octanol 323.15 - 0.0213 [170]
1-Octanol 328.15 - 0.0312 [170]
1-Octanol 333.15 - 0.0446 [170]
Water 293.15 - 0.0934 [169]
Water 298.15 - 0.1134 [169]
Water 303.15 - 0.1406 [169]
Water 308.15 - 0.1751 [169]
Water 313.15 - 0.2251 [169]
Water 318.15 - 0.288 [169]
Water 323.15 - 0.3829 [169]

Molecule 3D descriptors

Descriptor Value
PMI1 896.5829
PMI2 4569.5819
PMI3 5305.2823
NPR1 0.1690
NPR2 0.8613
RadiusOfGyration 4.0194
InertialShapeFactor 0.0010
Eccentricity 0.9856
Asphericity 0.5769
SpherocityIndex 0.0892
PBF 0.5894