Molecule

ID:1898

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉O₃P
Molecular Mass
242.251221
Exact Mass
242.1071811
Charge
0
InChI
InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-11(3)7-9-12/h6-9H,4-5,10H2,1-3H3
InChIKey
QKGBKPZAXXBLJE-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(Cc1ccc(cc1)C)OCC
Isomeric Smiles
c1(ccc(cc1)C)CP(=O)(OCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8394997
LogD (pH = 7.4)
2.8394997
Log P
2.8394997
Molar Refractivity
65.4174
Polarizability
25.96407
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.55
LOG S
-2.21
Solubility (Water)
1.48e+00 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
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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