Molecule

ID:62604

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₃O₂
Molecular Mass
213.27676
Exact Mass
213.14772686
Charge
0
InChI
InChI=1S/C10H19N3O2/c1-7(14)12-6-9-4-3-8(13-9)5-10(15)11-2/h8-9,13H,3-6H2,1-2H3,(H,11,15)(H,12,14)/t8-,9+/m1/s1
InChIKey
VTERHNJUHHJCCT-BDAKNGLRSA-N
Canonic Smiles
CNC(=O)C[C@H]1CC[C@H](N1)CNC(=O)C
Isomeric Smiles
N1[C@@H](CC(=O)NC)CC[C@H]1CNC(=O)C
Calculated Properties
JChem
Acid pKa
15.717247
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.7276483
LogD (pH = 7.4)
-3.9540381
Log P
-1.5139545
Molar Refractivity
56.4713
Polarizability
22.389013
Polar Surface Area
70.23
Rotatable Bonds
4
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