Molecule

ID:2815

General Information
Structure
MolImage
Molecular Formula
C₃H₆FO₆P
Molecular Mass
188.0483042
Exact Mass
187.98860276
Charge
0
InChI
InChI=1S/C3H6FO6P/c4-1-2(3(5)6)10-11(7,8)9/h2H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKey
BNOCDEBUFVJMQI-UWTATZPHSA-N
Canonic Smiles
FC[C@H](C(=O)O)OP(=O)(O)O
Isomeric Smiles
OC(=O)[C@@H](CF)OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
0.4961184
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-5.233843
LogD (pH = 7.4)
-8.096686
Log P
-0.7512137
Molar Refractivity
29.5643
Polarizability
12.209944
Polar Surface Area
104.06
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.63
LOG S
-1.32
Solubility (Water)
9.02e+00 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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