Molecule

ID:11253

General Information
Structure
Molecular Formula
C₁₇H₂₄N₂O₃
Molecular Mass
304.38406
Exact Mass
304.17869264
Charge
0
InChI
InChI=1S/C17H24N2O3/c20-16(19-14-9-5-2-6-10-14)11-15(17(21)22)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14-15,18H,2,5-6,9-12H2,(H,19,20)(H,21,22)
InChIKey
VCCYANQOUCPGQP-UHFFFAOYSA-N
Canonic Smiles
O=C(CC(C(=O)O)NCc1ccccc1)NC1CCCCC1
Isomeric Smiles
C(C(=O)NC1CCCCC1)C(C(=O)O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
2.0266914
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.31700447
LogD (pH = 7.4)
-0.323325
Log P
-0.31710055
Molar Refractivity
83.653
Polarizability
33.10264
Polar Surface Area
78.43
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