Molecule

ID:20166

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO
Molecular Mass
269.72558
Exact Mass
269.06074169
Charge
0
InChI
InChI=1S/C16H12ClNO/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-12-7-5-11(18)6-8-12/h1-10H,18H2
InChIKey
ZKDDFKIOAIQYSX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(c2c1cccc2)Cl
Isomeric Smiles
c1(c2c(c(cc1)Cl)cccc2)Oc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2166533
LogD (pH = 7.4)
4.237851
Log P
4.2381287
Molar Refractivity
78.2542
Polarizability
31.206804
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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