Molecule

ID:29048

General Information
Structure
Molecular Formula
C₁₇H₂₉NO
Molecular Mass
263.41826
Exact Mass
263.22491455
Charge
0
InChI
InChI=1S/C17H29NO/c1-5-7-12-18-13-14-19-16-10-8-15(9-11-16)17(3,4)6-2/h8-11,18H,5-7,12-14H2,1-4H3
InChIKey
LARVMHOIIUJJPH-UHFFFAOYSA-N
Canonic Smiles
CCCCNCCOc1ccc(cc1)C(CC)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNCCCC)(CC)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5628973
LogD (pH = 7.4)
2.4609396
Log P
4.764695
Molar Refractivity
82.3861
Polarizability
32.759552
Polar Surface Area
21.26
Rotatable Bonds
9
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