Molecule

ID:129688

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N₂O₂P
Molecular Mass
162.126801
Exact Mass
162.05581423
Charge
0
InChI
InChI=1S/C5H11N2O2P/c1-4-9-10(8,5-6)7(2)3/h4H2,1-3H3
InChIKey
PJVJTCIRVMBVIA-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(N(C)C)C#N
Isomeric Smiles
N#CP(=O)(OCC)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.11833716
LogD (pH = 7.4)
-0.11833716
Log P
-0.11833716
Molar Refractivity
39.068
Polarizability
15.002865
Polar Surface Area
53.33
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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