Molecule

ID:103034

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/t2-;/m0./s1
InChIKey
NFFJLMKHRCXLJO-DKWTVANSSA-L
Canonic Smiles
[O-]C(=O)C[C@@H](C(=O)[O-])N.[Mg+2]
Isomeric Smiles
N[C@@H](CC(=O)[O-])C(=O)[O-].[Mg+2]
Calculated Properties
JChem
Acid pKa
1.7025436
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-4.018386
LogD (pH = 7.4)
-5.749634
Log P
-3.5037527
Molar Refractivity
48.2069
Polarizability
10.658736
Polar Surface Area
106.28
Rotatable Bonds
3
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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