Molecule

ID:12923

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO₂
Molecular Mass
263.3752
Exact Mass
263.18852905
Charge
0
InChI
InChI=1S/C16H25NO2/c1-15(2)12-16(8-10-17,9-11-19-15)13-6-4-5-7-14(13)18-3/h4-7H,8-12,17H2,1-3H3
InChIKey
XVIFVXYPSCNQJH-UHFFFAOYSA-N
Canonic Smiles
NCCC1(CCOC(C1)(C)C)c1ccccc1OC
Isomeric Smiles
c1(c(cccc1)OC)C1(CCN)CCOC(C1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8832095
LogD (pH = 7.4)
-0.34941036
Log P
2.1362743
Molar Refractivity
77.9806
Polarizability
30.839176
Polar Surface Area
44.48
Rotatable Bonds
4
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