Molecule

ID:123431

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClO₂
Molecular Mass
136.57676
Exact Mass
136.02910721
Charge
0
InChI
InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3
InChIKey
ZZUYIRISBMWFMV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCl
Isomeric Smiles
C(=O)(OC)CCCCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9855661
LogD (pH = 7.4)
0.9855661
Log P
0.9855661
Molar Refractivity
31.6204
Polarizability
12.611222
Polar Surface Area
26.3
Rotatable Bonds
4
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
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Molecule Details
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References
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Bioactivity
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