Molecule

ID:29059

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₉NO₂
Molecular Mass
291.42836
Exact Mass
291.21982917
Charge
0
InChI
InChI=1S/C18H29NO2/c1-14(12-19-13-17-6-5-11-20-17)21-16-9-7-15(8-10-16)18(2,3)4/h7-10,14,17,19H,5-6,11-13H2,1-4H3
InChIKey
SEYDLTAVGGJHPD-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(C)(C)C)CNCC1CCCO1
Isomeric Smiles
C(c1ccc(OC(CNCC2OCCC2)C)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.69964266
LogD (pH = 7.4)
1.9634993
Log P
3.8313916
Molar Refractivity
86.585
Polarizability
34.527664
Polar Surface Area
30.49
Rotatable Bonds
7
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