Molecule

ID:6044

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅O₄P
Molecular Mass
194.165361
Exact Mass
194.07079559
Charge
0
InChI
InChI=1S/C7H15O4P/c1-3-6(8)5(2)7(9)4-12(10)11/h5-6,8,12H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m1/s1
InChIKey
UXHVQAJQXZWLAW-RITPCOANSA-N
Canonic Smiles
C[C@@H](C(=O)CP(=O)O)[C@H](CC)O
Isomeric Smiles
CC[C@H](O)[C@@H](C)C(=O)CP(=O)O
Calculated Properties
JChem
Acid pKa
2.0869215
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.3685138
LogD (pH = 7.4)
-2.3977146
Log P
-0.1343
Molar Refractivity
45.2588
Polarizability
18.167952
Polar Surface Area
74.6
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.34
LOG S
-0.68
Solubility (Water)
4.05e+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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