Molecule

ID:79357

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₅
Molecular Mass
259.6431
Exact Mass
259.02475011
Charge
0
InChI
InChI=1S/C10H10ClNO5/c1-16-7(13)3-5-8(10(15)17-2)6(4-11)12-9(5)14/h4H,3H2,1-2H3,(H,12,14)
InChIKey
GEJYAMIEIPBURJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1=C(C(=O)OC)/C(=C/Cl)/NC1=O
Isomeric Smiles
N1/C(=C\Cl)/C(=C(C1=O)CC(=O)OC)C(=O)OC
Calculated Properties
JChem
Acid pKa
9.755787
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.40844363
LogD (pH = 7.4)
-0.41011408
Log P
-0.4084223
Molar Refractivity
58.9224
Polarizability
22.74403
Polar Surface Area
81.7
Rotatable Bonds
5
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