Molecule

ID:24013

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO
Molecular Mass
183.6348
Exact Mass
183.04509163
Charge
0
InChI
InChI=1S/C9H9NO.ClH/c1-6-5-7-3-2-4-8(10)9(7)11-6;/h2-5H,10H2,1H3;1H
InChIKey
XWGALGDVDQMWRX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c(o1)c(N)ccc2.Cl
Isomeric Smiles
c12oc(cc1cccc2N)C.Cl
Calculated Properties
JChem
Acid pKa
18.773478
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5028429
LogD (pH = 7.4)
1.5030025
Log P
1.5030046
Molar Refractivity
44.7492
Polarizability
17.637959
Polar Surface Area
39.16
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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