Molecule

ID:88559

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-13-10-5-3-9(4-6-10)11(12)7-2-8-11;/h3-6H,2,7-8,12H2,1H3;1H
InChIKey
QMYHYYPRQOXXDJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1(N)CCC1.Cl
Isomeric Smiles
NC1(c2ccc(cc2)OC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2356446
LogD (pH = 7.4)
-0.54560685
Log P
1.775245
Molar Refractivity
52.6964
Polarizability
21.019613
Polar Surface Area
35.25
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