Molecule

ID:19576

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₂
Molecular Mass
227.68736
Exact Mass
227.07130637
Charge
0
InChI
InChI=1S/C11H14ClNO2/c12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7,13H2
InChIKey
LEFOYQWVEPKGCG-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1OCC1CCCO1)Cl
Isomeric Smiles
c1(OCC2OCCC2)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0031123
LogD (pH = 7.4)
2.0092041
Log P
2.0092824
Molar Refractivity
60.2811
Polarizability
23.224476
Polar Surface Area
44.48
Rotatable Bonds
3
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