Molecule

ID:5619

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClO₃P
Molecular Mass
262.669701
Exact Mass
262.05255868
Charge
0
InChI
InChI=1S/C11H16ClO3P/c1-3-10(15-16(2,12)13)9-14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-,16-/m1/s1
InChIKey
YEIXDWIEYXZUBR-QLJPJBMISA-N
Canonic Smiles
CC[C@@H](O[P@@](=O)(Cl)C)COc1ccccc1
Isomeric Smiles
[P@](=O)(Cl)(C)O[C@H](CC)COc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8174808
LogD (pH = 7.4)
2.8174808
Log P
2.8174808
Molar Refractivity
64.727
Polarizability
26.097172
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.24
LOG S
-2.5
Solubility (Water)
8.22e-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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