Molecule
ID:75002
General Information
Molecular Formula
C₄H₉O₅P
Molecular Mass
168.085021
Exact Mass
168.01876002
Charge
0
InChI
InChI=1S/C4H9O5P/c5-4(6)2-1-3-10(7,8)9/h1-3H2,(H,5,6)(H2,7,8,9)
InChIKey
UYRFPODVSLYSCO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCP(=O)(O)O
Isomeric Smiles
P(=O)(O)(O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
1.809042
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-4.5114894
LogD (pH = 7.4)
-6.3442335
Log P
-1.188939
Molar Refractivity
32.8408
Polarizability
13.164197
Polar Surface Area
94.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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