Molecule

ID:36396

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃O₃
Molecular Mass
305.37212
Exact Mass
305.17394161
Charge
0
InChI
InChI=1S/C16H23N3O3/c1-2-17-8-10-18(11-9-17)15(20)12-19(13-16(21)22)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3,(H,21,22)
InChIKey
WNHRICUVGBEETI-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)C(=O)CN(c1ccccc1)CC(=O)O
Isomeric Smiles
C(=O)(N1CCN(CC1)CC)CN(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.9568603
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7686822
LogD (pH = 7.4)
-2.0465798
Log P
-1.7743444
Molar Refractivity
85.0701
Polarizability
32.415524
Polar Surface Area
64.09
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