Molecule

ID:1195

General Information
Structure
MolImage
Molecular Formula
C₂H₈AlNO₄
Molecular Mass
137.070758
Exact Mass
137.02687137
Charge
0
InChI
InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1
InChIKey
RBNPZEHAODHBPZ-UHFFFAOYSA-M
Canonic Smiles
NCC(=O)O[Al].O.O
Isomeric Smiles
[Al]OC(=O)CN.O.O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1983184
LogD (pH = 7.4)
0.28276017
Log P
0.4902
Molar Refractivity
15.0758
Polarizability
8.59894
Polar Surface Area
52.32
Rotatable Bonds
2
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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