Molecule

ID:44647

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O
Molecular Mass
191.22972
Exact Mass
191.10586205
Charge
0
InChI
InChI=1S/C10H13N3O/c11-9-4-2-8(3-5-9)10(14)13-7-1-6-12-13/h2-5,12H,1,6-7,11H2
InChIKey
NGKCMPJZBWLVCD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N1CCCN1
Isomeric Smiles
C(=O)(N1NCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.022518942
LogD (pH = 7.4)
0.0341219
Log P
0.03427139
Molar Refractivity
66.4415
Polarizability
20.522142
Polar Surface Area
58.36
Rotatable Bonds
1
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