Molecule

ID:83746

General Information
Structure
MolImage
Molecular Formula
C₄H₁₃N₄O₂P
Molecular Mass
180.145381
Exact Mass
180.07761231
Charge
0
InChI
InChI=1S/C4H13N4O2P/c1-4(2,11(9)10)8-7-3(5)6/h8,11H,1-2H3,(H,9,10)(H4,5,6,7)
InChIKey
IXJFNKNBRDPBTH-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NNC(P(=O)O)(C)C
Isomeric Smiles
P(=O)(C(NNC(=N)N)(C)C)O
Calculated Properties
JChem
Acid pKa
-0.0956251
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-0.9929377
LogD (pH = 7.4)
-0.9670232
Log P
-0.9667926
Molar Refractivity
73.572
Polarizability
16.401066
Polar Surface Area
111.23
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
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References
Bioactivity
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