Molecule

ID:20136

General Information
Structure
Molecular Formula
C₁₂H₁₀ClNO
Molecular Mass
219.6669
Exact Mass
219.04509163
Charge
0
InChI
InChI=1S/C12H10ClNO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H,14H2
InChIKey
COOTUHZXYCEPGE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1cccc(c1)Cl
Isomeric Smiles
c1c(Oc2ccc(N)cc2)cccc1Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2314582
LogD (pH = 7.4)
3.248431
Log P
3.2486517
Molar Refractivity
61.804
Polarizability
23.657715
Polar Surface Area
35.25
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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