Molecule

ID:27565

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₃
Molecular Mass
263.33214
Exact Mass
263.15214354
Charge
0
InChI
InChI=1S/C15H21NO3/c1-2-15(17)13-3-5-14(6-4-13)19-12-9-16-7-10-18-11-8-16/h3-6H,2,7-12H2,1H3
InChIKey
OYSQNUOSVOCLFK-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccc(cc1)OCCN1CCOCC1
Isomeric Smiles
N1(CCOc2ccc(C(=O)CC)cc2)CCOCC1
Calculated Properties
JChem
Acid pKa
16.861551
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3784982
LogD (pH = 7.4)
1.8624076
Log P
1.873902
Molar Refractivity
74.6445
Polarizability
29.117775
Polar Surface Area
38.77
Rotatable Bonds
6
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