Molecule

ID:19630

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁Cl₂NO
Molecular Mass
304.17064
Exact Mass
303.02176934
Charge
0
InChI
InChI=1S/C16H11Cl2NO/c17-12-8-9-15(11-5-2-1-4-10(11)12)20-16-13(18)6-3-7-14(16)19/h1-9H,19H2
InChIKey
UOIXNPLMSZUSCK-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1ccc(c2c1cccc2)Cl)Cl
Isomeric Smiles
c1(Oc2c3c(c(cc2)Cl)cccc3)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.952118
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.8418546
LogD (pH = 7.4)
4.8421693
Log P
4.842173
Molar Refractivity
83.059
Polarizability
33.056267
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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