Molecule

ID:128951

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₃O₅P
Molecular Mass
211.113061
Exact Mass
211.03580707
Charge
0
InChI
InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
InChIKey
DRBBFCLWYRJSJZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(/C(=N/P(=O)(O)O)/N)C
Isomeric Smiles
OC(=O)CN(C)/C(=N/P(=O)(O)O)/N
Calculated Properties
JChem
Acid pKa
-4.3285427
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-5.2055364
LogD (pH = 7.4)
-8.350739
Log P
-3.1884842
Molar Refractivity
42.6851
Polarizability
16.293972
Polar Surface Area
136.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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