Molecule

ID:26801

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-3-12-10-6-4-5-9(7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChIKey
YIPGPYIRKCOZJP-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)C(N)C
Isomeric Smiles
c1(cc(OCC)ccc1)C(N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2866416
LogD (pH = 7.4)
-0.47382024
Log P
1.714726
Molar Refractivity
50.162
Polarizability
19.912298
Polar Surface Area
35.25
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