Molecule

ID:14644

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-12-9-3-5-10(6-4-9)13-8-2-7-11/h3-6H,2,7-8,11H2,1H3
InChIKey
NCGAPYLHHZMWPI-UHFFFAOYSA-N
Canonic Smiles
NCCCOc1ccc(cc1)OC
Isomeric Smiles
c1(ccc(cc1)OC)OCCCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0954452
LogD (pH = 7.4)
-1.4970635
Log P
0.9208792
Molar Refractivity
51.7996
Polarizability
20.571308
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