Molecule

ID:122311

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClO₃
Molecular Mass
178.61344
Exact Mass
178.03967189
Charge
0
InChI
InChI=1S/C7H11ClO3/c8-4-6-5-10-7(11-6)2-1-3-9-7/h6H,1-5H2
InChIKey
LOLKVYWEDNQMDY-UHFFFAOYSA-N
Canonic Smiles
ClCC1COC2(O1)CCCO2
Isomeric Smiles
C12(OC(CO1)CCl)OCCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6049933
LogD (pH = 7.4)
1.6049933
Log P
1.6049933
Molar Refractivity
40.1769
Polarizability
16.202496
Polar Surface Area
27.69
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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