Molecule

ID:58122

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H10ClNO/c1-6-7-3-2-4-8(11)10(7)12-9(6)5-13/h2-4,12-13H,5H2,1H3
InChIKey
SJQGCQXWFRBYIL-UHFFFAOYSA-N
Canonic Smiles
OCc1[nH]c2c(c1C)cccc2Cl
Isomeric Smiles
c1cc(c2[nH]c(c(c2c1)C)CO)Cl
Calculated Properties
JChem
Acid pKa
14.696685
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.3421252
LogD (pH = 7.4)
2.3421252
Log P
2.3421252
Molar Refractivity
53.6839
Polarizability
21.632502
Polar Surface Area
36.02
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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