Molecule

ID:87159

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClO
Molecular Mass
214.73166
Exact Mass
214.11244291
Charge
0
InChI
InChI=1S/C12H19ClO/c13-12(9-5-4-8-11(12)14)10-6-2-1-3-7-10/h10H,1-9H2
InChIKey
IBJCMJRJHLICSN-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCC1(Cl)C1CCCCC1
Isomeric Smiles
O=C1C(C2CCCCC2)(Cl)CCCC1
Calculated Properties
JChem
Acid pKa
19.254202
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1619616
LogD (pH = 7.4)
4.1619616
Log P
4.1619616
Molar Refractivity
58.5003
Polarizability
23.269312
Polar Surface Area
17.07
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
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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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