Molecule

ID:96291

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClFN₂O₃
Molecular Mass
300.7132632
Exact Mass
300.06769822
Charge
0
InChI
InChI=1S/C13H14ClFN2O3/c1-3-16-7-9(13(19)20-4-2)11(18)8-5-10(15)12(14)17-6-8/h5-7,16H,3-4H2,1-2H3
InChIKey
VPSFKAXOHMEKSN-UHFFFAOYSA-N
Canonic Smiles
CCN/C=C(/C(=O)c1cnc(c(c1)F)Cl)\C(=O)OCC
Isomeric Smiles
n1cc(cc(c1Cl)F)C(=O)/C(=C/NCC)/C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9214653
LogD (pH = 7.4)
1.9215106
Log P
1.921511
Molar Refractivity
73.7845
Polarizability
27.656763
Polar Surface Area
68.29
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation