Molecule

ID:29137

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-3-9-12-10-7-5-6-8-11(10)13-4-2/h5-8,12H,3-4,9H2,1-2H3
InChIKey
BWWYHJBKZRGSLM-UHFFFAOYSA-N
Canonic Smiles
CCCNc1ccccc1OCC
Isomeric Smiles
c1(c(OCC)cccc1)NCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2975223
LogD (pH = 7.4)
2.520747
Log P
2.524491
Molar Refractivity
56.7362
Polarizability
21.36557
Polar Surface Area
21.26
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