Molecule

ID:3763

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄NO₆P
Molecular Mass
287.205721
Exact Mass
287.0558738
Charge
0
InChI
InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1
InChIKey
NQEQTYPJSIEPHW-MNOVXSKESA-N
Canonic Smiles
O[C@@H]([C@H](c1c[nH]c2c1cccc2)O)COP(=O)(O)O
Isomeric Smiles
C(OP(=O)(O)O)[C@@H](O)[C@@H](O)c1c2c([nH]c1)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
-3.38
LogD (pH = 5.5)
-2.49
Log P
-0.08
Rotatable Bonds
5
H Donor
5
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.49
Polar Surface Area
123.01
Polarizability
25.65
Molar Refractivity
66.76
LOG S
-0.96
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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