Molecule

ID:74964

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈ClO₃P
Molecular Mass
228.653481
Exact Mass
228.06820875
Charge
0
InChI
InChI=1S/C8H18ClO3P/c1-7(2)11-13(10,6-5-9)12-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
UCSODMVCOIWLQR-UHFFFAOYSA-N
Canonic Smiles
ClCCP(=O)(OC(C)C)OC(C)C
Isomeric Smiles
P(=O)(OC(C)C)(OC(C)C)CCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0498867
LogD (pH = 7.4)
2.0498867
Log P
2.0498867
Molar Refractivity
53.9445
Polarizability
22.045979
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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