Molecule
ID:83473
General Information
Molecular Formula
C₇H₁₁ClO
Molecular Mass
146.61464
Exact Mass
146.04984265
Charge
0
InChI
InChI=1S/C7H11ClO/c8-6-4-1-2-5(3-4)7(6)9/h4-7,9H,1-3H2
InChIKey
QMEJABBJPKHUJS-UHFFFAOYSA-N
Canonic Smiles
OC1C2CCC(C1Cl)C2
Isomeric Smiles
ClC1C(C2CC1CC2)O
Calculated Properties
JChem
Acid pKa
13.901381
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3820328
LogD (pH = 7.4)
1.3820326
Log P
1.3820328
Molar Refractivity
36.228
Polarizability
14.635664
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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