Molecule

ID:116882

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₄
Molecular Mass
255.6544
Exact Mass
255.02983549
Charge
0
InChI
InChI=1S/C11H10ClNO4/c12-4-8-5-13(11(14)17-8)7-1-2-9-10(3-7)16-6-15-9/h1-3,8H,4-6H2
InChIKey
BKYVFTGFXIPMCE-UHFFFAOYSA-N
Canonic Smiles
ClCC1OC(=O)N(C1)c1ccc2c(c1)OCO2
Isomeric Smiles
C1(=O)N(c2cc3c(OCO3)cc2)CC(O1)CCl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8702788
LogD (pH = 7.4)
1.8702788
Log P
1.8702788
Molar Refractivity
58.4719
Polarizability
23.285349
Polar Surface Area
48.0
Rotatable Bonds
2
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