Molecule

ID:132845

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆ClN₅O₄
Molecular Mass
269.68604
Exact Mass
269.0890817
Charge
0
InChI
InChI=1S/C7H15N5O4.ClH/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15;/h5H,2-4,8H2,1H3,(H3,9,10,11);1H
InChIKey
QBNXAGZYLSRPJK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CCCNC(=N)N[N+](=O)[O-])N.Cl
Isomeric Smiles
COC(=O)C(CCCNC(=N)N[N+](=O)[O-])N.Cl
Calculated Properties
JChem
Acid pKa
10.0243025
H Acceptors
7
H Donor
4
LogD (pH = 5.5)
-3.239856
LogD (pH = 7.4)
-1.1268928
Log P
-0.92778957
Molar Refractivity
65.6785
Polarizability
20.961002
Polar Surface Area
146.05
Rotatable Bonds
7
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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