Molecule

ID:130636

General Information
Structure
MolImage
Molecular Formula
CH₂NNa₂O₅P
Molecular Mass
184.983581
Exact Mass
184.94659736
Charge
0
InChI
InChI=1S/CH4NO5P.2Na/c2-1(3)7-8(4,5)6;;/h(H2,2,3)(H2,4,5,6);;/q;2*+1/p-2
InChIKey
ZZRCKSSPGJOTEE-UHFFFAOYSA-L
Canonic Smiles
NC(=O)OP(=O)([O-])[O-].[Na+].[Na+]
Isomeric Smiles
C(=O)(N)OP(=O)([O-])[O-].[Na+].[Na+]
Calculated Properties
JChem
Acid pKa
1.1011909
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.6748161
LogD (pH = 7.4)
-4.8503876
Log P
-1.2107564
Molar Refractivity
20.2367
Polarizability
9.040348
Polar Surface Area
115.51
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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