Molecule

ID:70063

General Information
Structure
Molecular Formula
C₁₁H₁₅NO
Molecular Mass
177.2429
Exact Mass
177.11536411
Charge
0
InChI
InChI=1S/C11H15NO/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10H,5-8,12H2
InChIKey
ZPKIQSVHYPMNNO-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C1CCOCC1
Isomeric Smiles
Nc1ccc(cc1)C1CCOCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5080683
LogD (pH = 7.4)
1.5660208
Log P
1.5668126
Molar Refractivity
54.4985
Polarizability
20.564892
Polar Surface Area
35.25
Rotatable Bonds
1
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