Molecule

ID:11093

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₃
Molecular Mass
242.65894
Exact Mass
242.0458199
Charge
0
InChI
InChI=1S/C10H11ClN2O3/c11-9-7(3-1-5-12-9)10(16)13-6-2-4-8(14)15/h1,3,5H,2,4,6H2,(H,13,16)(H,14,15)
InChIKey
UMXSSTMISMBXPS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCNC(=O)c1cccnc1Cl
Isomeric Smiles
c1(C(=O)NCCCC(=O)O)c(nccc1)Cl
Calculated Properties
JChem
Acid pKa
3.452218
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3802354
LogD (pH = 7.4)
-2.7314727
Log P
0.65776885
Molar Refractivity
59.2813
Polarizability
22.23266
Polar Surface Area
79.29
Rotatable Bonds
5
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