Molecule

ID:84828

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO
Molecular Mass
269.72558
Exact Mass
269.06074169
Charge
0
InChI
InChI=1S/C16H12ClNO/c1-19-12-7-8-15-13(9-12)14(17)10-16(18-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
JUDKYVTYOZVODY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(Cl)cc(n2)c1ccccc1
Isomeric Smiles
n1c(cc(c2cc(ccc12)OC)Cl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6094694
LogD (pH = 7.4)
4.6103387
Log P
4.6103497
Molar Refractivity
76.0115
Polarizability
32.36916
Polar Surface Area
22.12
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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