Molecule

ID:11384

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNO₂
Molecular Mass
173.59692
Exact Mass
173.02435618
Charge
0
InChI
InChI=1S/C7H8ClNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKey
DRDCOQBVIBGWCZ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCc1ccco1
Isomeric Smiles
c1(occc1)CNC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.3671
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.51544607
LogD (pH = 7.4)
0.5150365
Log P
0.5154513
Molar Refractivity
41.1193
Polarizability
15.847009
Polar Surface Area
42.24
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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