Molecule

ID:19508

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-12-7-4-8-13-10-6-3-2-5-9(10)11/h2-3,5-6H,4,7-8,11H2,1H3
InChIKey
LPTSBNWTHMKSEJ-UHFFFAOYSA-N
Canonic Smiles
COCCCOc1ccccc1N
Isomeric Smiles
c1(c(OCCCOC)cccc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9665277
LogD (pH = 7.4)
0.9991998
Log P
0.99963284
Molar Refractivity
53.1305
Polarizability
20.202335
Polar Surface Area
44.48
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