Molecule

ID:18172

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClO
Molecular Mass
198.6892
Exact Mass
198.08114278
Charge
0
InChI
InChI=1S/C11H15ClO/c1-9-4-5-10(2)11(8-9)13-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3
InChIKey
KKKALMTZUKVBQZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1OCCCCl)C
Isomeric Smiles
O(c1c(ccc(c1)C)C)CCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5668669
LogD (pH = 7.4)
3.5668669
Log P
3.5668669
Molar Refractivity
56.8123
Polarizability
21.870972
Polar Surface Area
9.23
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
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Molecule Details
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References
Bioactivity
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