Molecule

ID:114348

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N₅O
Molecular Mass
249.31216
Exact Mass
249.15896025
Charge
0
InChI
InChI=1S/C12H19N5O/c1-3-16(4-2-13-1)11-9-12(15-10-14-11)17-5-7-18-8-6-17/h9-10,13H,1-8H2
InChIKey
OKHACSUHTKPBSQ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1ncnc(c1)N1CCOCC1
Isomeric Smiles
c1(cc(N2CCOCC2)ncn1)N1CCNCC1
Calculated Properties
Provided by Enamine
CLogP
0.07
H Donor
1
Polar Surface Area
53.52
Rotatable Bonds
2
JChem
Log P
0.70
LogD (pH = 7.4)
-0.73
LogD (pH = 5.5)
-3.25
Rotatable Bonds
2
H Donor
1
H Acceptors
6
Polar Surface Area
53.52
Molar Refractivity
72
Polarizability
27.14
Lipinski's Rule of Five
true
LOG S
-1.85
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