Molecule

ID:20122

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-11-3-1-2-4-12(11)15-10-7-5-9(14)6-8-10/h1-8H,14H2
InChIKey
GKVDUWJVFNUYAR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccccc1Cl
Isomeric Smiles
c1(Oc2ccc(N)cc2)c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2322686
LogD (pH = 7.4)
3.2484415
Log P
3.2486517
Molar Refractivity
61.804
Polarizability
23.676977
Polar Surface Area
35.25
Rotatable Bonds
2
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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