Molecule

ID:18409

General Information
Structure
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c1-13-8-7-12-9-10-5-3-4-6-11(10)14-2/h3-6,12H,7-9H2,1-2H3
InChIKey
HMVXYUDGGRXXAN-UHFFFAOYSA-N
Canonic Smiles
COCCNCc1ccccc1OC
Isomeric Smiles
c1(c(OC)cccc1)CNCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4848069
LogD (pH = 7.4)
0.18523672
Log P
1.3269479
Molar Refractivity
56.8127
Polarizability
22.427889
Polar Surface Area
30.49
Rotatable Bonds
6
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