Molecule

ID:1469

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀NO₅P
Molecular Mass
183.099661
Exact Mass
183.02965906
Charge
0
InChI
InChI=1S/C4H10NO5P/c6-4(5-7)2-1-3-11(8,9)10/h7H,1-3H2,(H,5,6)(H2,8,9,10)
InChIKey
AKXSFRVADDCWTF-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)CCCP(=O)(O)O
Isomeric Smiles
ONC(=O)CCCP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.8103299
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.398424
LogD (pH = 7.4)
-4.480134
Log P
-2.109232
Molar Refractivity
36.4276
Polarizability
14.495712
Polar Surface Area
106.86
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.07
LOG S
-0.67
Solubility (Water)
4.64e+01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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