Molecule

ID:27015

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO₅
Molecular Mass
299.70696
Exact Mass
299.05605023
Charge
0
InChI
InChI=1S/C13H14ClNO5/c1-7(14)11(16)15-10-5-8(12(17)19-2)4-9(6-10)13(18)20-3/h4-7H,1-3H3,(H,15,16)
InChIKey
YGPCOBCATAOLDP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(NC(=O)C(Cl)C)cc(c1)C(=O)OC
Isomeric Smiles
C(=O)(Nc1cc(C(=O)OC)cc(C(=O)OC)c1)C(Cl)C
Calculated Properties
JChem
Acid pKa
12.714815
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3240182
LogD (pH = 7.4)
2.324016
Log P
2.3240182
Molar Refractivity
74.2187
Polarizability
27.86247
Polar Surface Area
81.7
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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