Molecule
ID:90983
General Information
Molecular Formula
C₇H₉ClO₂
Molecular Mass
160.59816
Exact Mass
160.02910721
Charge
0
InChI
InChI=1S/C7H9ClO2/c8-7(10)5-1-3-6(9)4-2-5/h5H,1-4H2
InChIKey
AASVHVOZIALMIH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(CC1)C(=O)Cl
Isomeric Smiles
O=C(C1CCC(=O)CC1)Cl
Calculated Properties
JChem
Acid pKa
19.278872
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2442684
LogD (pH = 7.4)
1.2442684
Log P
1.2442684
Molar Refractivity
38.3458
Polarizability
14.979334
Polar Surface Area
34.14
Rotatable Bonds
1
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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