Molecule

ID:1887

General Information
Structure
Molecular Formula
C₇H₁₇O₃P
Molecular Mass
180.181841
Exact Mass
180.09153103
Charge
0
InChI
InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
InChIKey
WOAFDHWYKSOANX-UHFFFAOYSA-N
Canonic Smiles
CC(OP(=O)(OC(C)C)C)C
Isomeric Smiles
P(=O)(OC(C)C)(OC(C)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
1.41
LogD (pH = 5.5)
1.41
Log P
1.41
Rotatable Bonds
4
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.90
Polar Surface Area
35.53
Polarizability
18.53
Molar Refractivity
44.48
LOG S
-0.54
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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