Molecule

ID:67710

General Information
Structure
MolImage
Molecular Formula
C₆H₅N₃
Molecular Mass
119.124
Exact Mass
119.04834718
Charge
0
InChI
InChI=1S/C6H5N3/c7-3-5-1-2-9-4-6(5)8/h1-2,4H,8H2
InChIKey
PEZNQSQPDQLHPN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccncc1N
Isomeric Smiles
c1c(c(ccn1)C#N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21727511
LogD (pH = 7.4)
-0.2172566
Log P
-0.21725638
Molar Refractivity
34.3231
Polarizability
12.403272
Polar Surface Area
62.7
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