Molecule

ID:253

General Information
Structure
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Molecular Formula
C₈H₁₄N₃O₆P
Molecular Mass
279.187021
Exact Mass
279.06202181
Charge
0
InChI
InChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/t6-/m0/s1
InChIKey
VWFCHDSQECPREK-LURJTMIESA-N
Canonic Smiles
OC[C@H](Cn1ccc(nc1=O)N)OCP(=O)(O)O
Isomeric Smiles
P(=O)(O)(O)CO[C@@H](Cn1ccc(nc1=O)N)CO
Calculated Properties
JChem
LogD (pH = 7.4)
-4.70
LogD (pH = 5.5)
-4.36
Log P
-2.46
Rotatable Bonds
6
H Donor
4
H Acceptors
8
Lipinski's Rule of Five
true
Acid pKa
1.25
Polar Surface Area
145.68
Polarizability
24.44
Molar Refractivity
60.43
LOG S
1.21
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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