Molecule

ID:71288

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClO
Molecular Mass
116.5456
Exact Mass
116.00289246
Charge
0
InChI
InChI=1S/C5H5ClO/c6-4-5-2-1-3-7-5/h1-3H,4H2
InChIKey
GANBJDIOIDQSGI-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccco1
Isomeric Smiles
c1(occc1)CCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.6207346
LogD (pH = 7.4)
1.6207346
Log P
1.6207346
Molar Refractivity
28.3158
Polarizability
10.892514
Polar Surface Area
13.14
Rotatable Bonds
1
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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