Molecule

ID:131959

General Information
Structure
MolImage
Molecular Formula
C₄H₅MgNO₄
Molecular Mass
155.3918
Exact Mass
155.00689935
Charge
0
InChI
InChI=1S/C4H7NO4.Mg/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2
InChIKey
NFFJLMKHRCXLJO-UHFFFAOYSA-L
Canonic Smiles
O=C1O[Mg]OC(=O)C(C1)N
Isomeric Smiles
C1C(C(=O)O[Mg]OC1=O)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6665273
LogD (pH = 7.4)
-1.5529494
Log P
-1.4805
Molar Refractivity
24.6775
Polarizability
12.745019
Polar Surface Area
78.62
Rotatable Bonds
0
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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