Molecule

ID:74477

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClO
Molecular Mass
120.57736
Exact Mass
120.03419259
Charge
0
InChI
InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey
XVRIEWDDMODMGA-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)C
Isomeric Smiles
O=C(CCCCl)C
Calculated Properties
JChem
Acid pKa
19.385183
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1692976
LogD (pH = 7.4)
1.1692976
Log P
1.1692976
Molar Refractivity
30.4024
Polarizability
11.862144
Polar Surface Area
17.07
Rotatable Bonds
3
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
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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