Molecule

ID:126727

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₄O₃
Molecular Mass
296.28078
Exact Mass
296.09094026
Charge
0
InChI
InChI=1S/C15H12N4O3/c16-14-9-15(20)18(10-4-2-1-3-5-10)13-8-11(19(21)22)6-7-12(13)17-14/h1-8H,9H2,(H2,16,17)
InChIKey
MBSVPZTUXNRICW-UHFFFAOYSA-N
Canonic Smiles
N=C1Nc2ccc(cc2N(C(=O)C1)c1ccccc1)[N+](=O)[O-]
Isomeric Smiles
c1ccc(cc1)N1c2cc(ccc2NC(=N)CC1=O)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.3532294
LogD (pH = 7.4)
2.0180604
Log P
2.0389109
Molar Refractivity
92.1746
Polarizability
29.651512
Polar Surface Area
102.01
Rotatable Bonds
2
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