Molecule

ID:92087

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₆
Molecular Mass
238.248
Exact Mass
238.09669435
Charge
0
InChI
InChI=1S/C12H10N6/c1-7-6-9-8(4-3-5-14-9)10-11(7)18(2)12(15-10)16-17-13/h3-6H,1-2H3
InChIKey
GUYGDZSFLARRCN-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=Nc1nc2c(n1C)c(C)cc1c2cccn1
Isomeric Smiles
Cn1c(N=[N+]=[N-])nc2c1c(C)cc1c2cccn1
Calculated Properties
JChem
Acid pKa
4.2284775
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1493297
LogD (pH = 7.4)
3.144891
Log P
3.1697013
Molar Refractivity
68.5886
Polarizability
27.048876
Polar Surface Area
60.14
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation