Molecule

ID:103130

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆K₂N₃O₇P
Molecular Mass
469.553201
Exact Mass
469.07825018
Charge
0
InChI
InChI=1S/C15H28N3O7P.2K/c1-10(2)6-8-25-26(23,24)16-9-13(19)18-7-4-5-12(18)14(20)17-11(3)15(21)22;;/h10-12H,4-9H2,1-3H3,(H,17,20)(H,21,22)(H2,16,23,24);;/q;2*+1/p-2
InChIKey
DTEQBACKLXLPHP-UHFFFAOYSA-L
Canonic Smiles
CC(CCOP(=O)(NCC(=O)N1CCCC1C(=O)NC(C(=O)[O-])C)[O-])C.[K+].[K+]
Isomeric Smiles
[K+].[K+].CC(C)CCOP(=O)([O-])NCC(=O)N1CCCC1C(=O)NC(C)C(=O)[O-]
Calculated Properties
JChem
Rotatable Bonds
10
Lipinski's Rule of Five
true
Acid pKa
3.018155
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-4.329575
LogD (pH = 7.4)
-6.242112
Log P
-0.70481396
Molar Refractivity
102.072395
Polarizability
36.17225
Polar Surface Area
150.93
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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