Molecule

ID:32219

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N₃O₄
Molecular Mass
319.35564
Exact Mass
319.15320617
Charge
0
InChI
InChI=1S/C16H21N3O4/c1-18-7-9-19(10-8-18)16(23)12-3-2-4-13(11-12)17-14(20)5-6-15(21)22/h2-4,11H,5-10H2,1H3,(H,17,20)(H,21,22)
InChIKey
ITWCFXXYOKHJBT-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)c1cccc(c1)NC(=O)CCC(=O)O
Isomeric Smiles
C(=O)(N1CCN(CC1)C)c1cc(NC(=O)CCC(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.4201849
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.4882975
LogD (pH = 7.4)
-2.9663517
Log P
-2.483367
Molar Refractivity
86.7362
Polarizability
32.295864
Polar Surface Area
89.95
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