Molecule

ID:53510

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄N₆O₂P₂
Molecular Mass
346.305482
Exact Mass
346.1435973
Charge
0
InChI
InChI=1S/C12H24N6O2P2/c19-21(15-5-6-15,16-7-8-16)13-1-2-14(4-3-13)22(20,17-9-10-17)18-11-12-18/h1-12H2
InChIKey
RWNNRGBCWXOVAC-UHFFFAOYSA-N
Canonic Smiles
O=P(N1CC1)(N1CC1)N1CCN(CC1)P(=O)(N1CC1)N1CC1
Isomeric Smiles
P(=O)(N1CC1)(N1CC1)N1CCN(P(=O)(N2CC2)N2CC2)CC1
Calculated Properties
JChem
H Acceptors
8
H Donor
0
LogD (pH = 5.5)
-3.834525
LogD (pH = 7.4)
-3.8345006
Log P
-3.8345003
Molar Refractivity
85.4626
Polarizability
34.9672
Polar Surface Area
52.66
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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