Molecule

ID:101146

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNO
Molecular Mass
145.58682
Exact Mass
145.02944156
Charge
0
InChI
InChI=1S/C6H8ClNO/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKey
VDYVFBKYKYWTRG-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(oc1C)C
Isomeric Smiles
n1c(c(oc1C)C)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.90644276
LogD (pH = 7.4)
0.9064768
Log P
0.9064772
Molar Refractivity
35.7025
Polarizability
13.566596
Polar Surface Area
26.03
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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