Molecule

ID:87689

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂N₄
Molecular Mass
164.20768
Exact Mass
164.1061964
Charge
0
InChI
InChI=1S/C8H12N4/c1-2-11-8(7-10-1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2
InChIKey
HCGFLVDMFDHYJD-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1nccnc1
Isomeric Smiles
N1(c2cnccn2)CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.2340548
LogD (pH = 7.4)
-1.6463001
Log P
-0.295526
Molar Refractivity
47.2417
Polarizability
17.838089
Polar Surface Area
41.05
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