Molecule

ID:55049

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H9NO.ClH/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;/h1-6,12H,11H2;1H
InChIKey
FDBQTRARWCKEJY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c2c1cccc2)N.Cl
Isomeric Smiles
Oc1ccc(c2c1cccc2)N.Cl
Calculated Properties
JChem
Acid pKa
10.016674
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6846268
LogD (pH = 7.4)
1.8268456
Log P
1.8302313
Molar Refractivity
49.1895
Polarizability
19.63961
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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