Molecule

ID:76925

General Information
Structure
MolImage
Molecular Formula
C₆H₁₈N₃OP
Molecular Mass
179.200381
Exact Mass
179.11874884
Charge
0
InChI
InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
InChIKey
GNOIPBMMFNIUFM-UHFFFAOYSA-N
Canonic Smiles
CN(P(=O)(N(C)C)N(C)C)C
Isomeric Smiles
N(C)(C)P(=O)(N(C)C)N(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.40
LogD (pH = 5.5)
-1.40
Log P
-1.40
Rotatable Bonds
3
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
0.87
Polar Surface Area
26.79
Polarizability
18.59
Molar Refractivity
48.64
LOG S
1.50
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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