Molecule

ID:24129

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO
Molecular Mass
229.7463
Exact Mass
229.12334195
Charge
0
InChI
InChI=1S/C12H19NO.ClH/c1-9(2)11-5-4-10(3)12(8-11)14-7-6-13;/h4-5,8-9H,6-7,13H2,1-3H3;1H
InChIKey
BOQAGQKUMAKKJQ-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cc(ccc1C)C(C)C.Cl
Isomeric Smiles
c1(cc(ccc1C)C(C)C)OCCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18457554
LogD (pH = 7.4)
0.921068
Log P
2.7770212
Molar Refractivity
59.703
Polarizability
23.449167
Polar Surface Area
35.25
Rotatable Bonds
4
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