Molecule

ID:30335

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO₂
Molecular Mass
277.40178
Exact Mass
277.20417911
Charge
0
InChI
InChI=1S/C17H27NO2/c1-4-16(2)13-17(9-11-18,10-12-20-16)14-7-5-6-8-15(14)19-3/h5-8H,4,9-13,18H2,1-3H3
InChIKey
PIZPJDAJWPLXFJ-UHFFFAOYSA-N
Canonic Smiles
NCCC1(CCOC(C1)(C)CC)c1ccccc1OC
Isomeric Smiles
C1(c2c(OC)cccc2)(CC(OCC1)(CC)C)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3606871
LogD (pH = 7.4)
0.17311208
Log P
2.6587968
Molar Refractivity
82.5046
Polarizability
32.683838
Polar Surface Area
44.48
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