Molecule

ID:24401

General Information
Structure
Molecular Formula
C₆H₁₃N₃O
Molecular Mass
143.18692
Exact Mass
143.10586205
Charge
0
InChI
InChI=1S/C6H13N3O/c1-2-4-8-5-3-6(10)9-7/h2,8H,1,3-5,7H2,(H,9,10)
InChIKey
ZGICJCZUGCLNAW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNCC=C
Isomeric Smiles
C(=O)(CCNCC=C)NN
Calculated Properties
JChem
Acid pKa
13.346837
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.9150932
LogD (pH = 7.4)
-2.482143
Log P
-0.8500509
Molar Refractivity
40.9464
Polarizability
15.703334
Polar Surface Area
67.15
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