Molecule

ID:15211

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClO₃
Molecular Mass
178.61344
Exact Mass
178.03967189
Charge
0
InChI
InChI=1S/C7H11ClO3/c8-4-7(9)11-5-6-2-1-3-10-6/h6H,1-5H2
InChIKey
KAHFVSLNJYZJKG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)OCC1CCCO1
Isomeric Smiles
C1CC(OC1)COC(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8784812
LogD (pH = 7.4)
0.8784812
Log P
0.8784812
Molar Refractivity
40.4207
Polarizability
16.304443
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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