Molecule
ID:57457
General Information
Molecular Formula
C₁₄H₉ClO
Molecular Mass
228.67366
Exact Mass
228.03419259
Charge
0
InChI
InChI=1S/C14H9ClO/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2
InChIKey
HDQDDUVQIZXFNI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cccc2c1c1ccccc1C2
Isomeric Smiles
c1ccc2c(c1)Cc1c2c(ccc1)C(=O)Cl
Calculated Properties
JChem
Acid pKa
16.559744
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9299319
LogD (pH = 7.4)
3.9299319
Log P
3.9299319
Molar Refractivity
65.9881
Polarizability
26.07409
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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