Molecule

ID:19625

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆ClNO
Molecular Mass
309.78944
Exact Mass
309.09204182
Charge
0
InChI
InChI=1S/C19H16ClNO/c20-17-7-4-8-18(21)19(17)22-16-11-9-15(10-12-16)13-14-5-2-1-3-6-14/h1-12H,13,21H2
InChIKey
GGPVNGYRRBWIIQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1ccc(cc1)Cc1ccccc1)Cl
Isomeric Smiles
c1(Oc2ccc(Cc3ccccc3)cc2)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.967783
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.340061
LogD (pH = 7.4)
5.3404408
Log P
5.3404455
Molar Refractivity
91.5412
Polarizability
35.055244
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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