Molecule

ID:40405

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅
Molecular Mass
135.1267
Exact Mass
135.05449519
Charge
0
InChI
InChI=1S/C5H5N5/c6-4-1-2-7-5-8-3-9-10(4)5/h1-3H,6H2
InChIKey
QOXCEADXSTZKHA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc2n1ncn2
Isomeric Smiles
n12c(ncn2)nccc1N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5270851
LogD (pH = 7.4)
-0.5270824
Log P
-0.5270823
Molar Refractivity
47.5586
Polarizability
12.706218
Polar Surface Area
69.1
Rotatable Bonds
0
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