Molecule

ID:29055

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO₂
Molecular Mass
263.3752
Exact Mass
263.18852905
Charge
0
InChI
InChI=1S/C16H25NO2/c1-2-3-10-19-16-9-5-4-7-14(16)12-17-13-15-8-6-11-18-15/h4-5,7,9,15,17H,2-3,6,8,10-13H2,1H3
InChIKey
BYRLNKSVOHOAFW-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1CNCC1CCCO1
Isomeric Smiles
c1(c(OCCCC)cccc1)CNCC1OCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18465854
LogD (pH = 7.4)
1.7782302
Log P
3.1164114
Molar Refractivity
77.8975
Polarizability
30.915405
Polar Surface Area
30.49
Rotatable Bonds
8
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