Molecule

ID:65397

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClO₂
Molecular Mass
160.59816
Exact Mass
160.02910721
Charge
0
InChI
InChI=1S/C7H9ClO2/c1-4(9)6(8)7(10)5-2-3-5/h5-6H,2-3H2,1H3
InChIKey
NUMZQGFCEWHHCX-UHFFFAOYSA-N
Canonic Smiles
ClC(C(=O)C1CC1)C(=O)C
Isomeric Smiles
C(C(=O)C)(C(=O)C1CC1)Cl
Calculated Properties
JChem
Acid pKa
6.5956454
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7138765
LogD (pH = 7.4)
0.8821363
Log P
1.7473634
Molar Refractivity
37.8784
Polarizability
14.94861
Polar Surface Area
34.14
Rotatable Bonds
3
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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