Molecule

ID:55405

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H9NO.ClH/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;/h1-7H,11H2;1H
InChIKey
BJKJCDNJJZHUSU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1ccco1.Cl
Isomeric Smiles
c1(cc(ccc1)N)c1ccco1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8457692
LogD (pH = 7.4)
1.8517156
Log P
1.8517919
Molar Refractivity
48.2855
Polarizability
19.332235
Polar Surface Area
39.16
Rotatable Bonds
1
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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