Molecule

ID:106164

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₅N₂O₆P
Molecular Mass
370.421961
Exact Mass
370.22327348
Charge
0
InChI
InChI=1S/2C6H13N.C3H9O6P/c2*7-6-4-2-1-3-5-6;4-1-3(5)2-9-10(6,7)8/h2*6H,1-5,7H2;3-5H,1-2H2,(H2,6,7,8)/t;;3-/m..1/s1
InChIKey
FWIDSLORBURWJY-CFMHHUGTSA-N
Canonic Smiles
NC1CCCCC1.NC1CCCCC1.OC[C@H](COP(=O)(O)O)O
Isomeric Smiles
NC1CCCCC1.NC1CCCCC1.OC[C@@H](O)COP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.5077547
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.366909
LogD (pH = 7.4)
-5.247459
Log P
-1.9625801
Molar Refractivity
31.389
Polarizability
12.865609
Polar Surface Area
107.22
Rotatable Bonds
4
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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