Molecule

ID:58441

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₅O
Molecular Mass
267.28592
Exact Mass
267.11201006
Charge
0
InChI
InChI=1S/C14H13N5O/c15-16-14(20)11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)17-18-19/h1-8H,9,15H2,(H,16,20)
InChIKey
TZVOVBAYOUTXJE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)Cn1nnc2c1cccc2
Isomeric Smiles
c1cc2c(cc1)nnn2Cc1ccc(cc1)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.480313
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7026821
LogD (pH = 7.4)
1.7035844
Log P
1.703596
Molar Refractivity
87.4492
Polarizability
29.377989
Polar Surface Area
85.83
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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