Molecule

ID:5835

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O₂
Molecular Mass
269.2985
Exact Mass
269.11642674
Charge
0
InChI
InChI=1S/C15H15N3O2/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20/h3-10H,1-2H3,(H,19,20)/b17-16+
InChIKey
CEQFOVLGLXCDCX-WUKNDPDISA-N
Canonic Smiles
CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)O)C
Isomeric Smiles
c1(c(cccc1)C(=O)O)/N=N/c1ccc(cc1)N(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
0.73
LogD (pH = 5.5)
2.02
Log P
3.31
Rotatable Bonds
4
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.15
Polar Surface Area
65.26
Polarizability
29.15
Molar Refractivity
82.06
LOG S
-3.48
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation