Molecule

ID:123661

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₅
Molecular Mass
175.19056
Exact Mass
175.08579531
Charge
0
InChI
InChI=1S/C8H9N5/c1-13-11-8(10-12-13)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3
InChIKey
QTEUJUOHTXVNAV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nnn(n1)C
Isomeric Smiles
n1c(nnn1C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4069265
LogD (pH = 7.4)
1.407483
Log P
1.4074901
Molar Refractivity
73.3366
Polarizability
18.555355
Polar Surface Area
69.62
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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