Molecule

ID:16737

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H16ClNO2/c1-8-6-10(11(14)7-12)9(2)13(8)4-5-15-3/h6H,4-5,7H2,1-3H3
InChIKey
JMJXKSAZKQXABB-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(C)cc(c1C)C(=O)CCl
Isomeric Smiles
c1(c(n(c(c1)C)CCOC)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.357431
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7239444
LogD (pH = 7.4)
1.7239444
Log P
1.7239444
Molar Refractivity
62.2124
Polarizability
23.291069
Polar Surface Area
31.23
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