Molecule

ID:33582

General Information
Structure
MolImage
Molecular Formula
C₇H₈KN₃O₂
Molecular Mass
205.25562
Exact Mass
205.02535819
Charge
0
InChI
InChI=1S/C7H9N3O2.K/c11-7(12)6-9-8-5-3-1-2-4-10(5)6;/h1-4H2,(H,11,12);/q;+1/p-1
InChIKey
HSMLNXZPBWLCTF-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1nnc2n1CCCC2.[K+]
Isomeric Smiles
c1(n2c(nn1)CCCC2)C(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
3.1484172
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-2.424724
LogD (pH = 7.4)
-3.5139413
Log P
-0.21495344
Molar Refractivity
53.6332
Polarizability
15.106115
Polar Surface Area
70.84
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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