Molecule

ID:13628

General Information
Structure
Molecular Formula
C₁₇H₁₄ClNO
Molecular Mass
283.75216
Exact Mass
283.07639175
Charge
0
InChI
InChI=1S/C17H14ClNO/c18-12-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-10H,11-12H2
InChIKey
JZNQVXSSQUEJEP-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)N1c2ccccc2C=Cc2c1cccc2
Isomeric Smiles
C1=Cc2c(N(c3c1cccc3)C(=O)CCCl)cccc2
Calculated Properties
JChem
Acid pKa
17.659786
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8739324
LogD (pH = 7.4)
3.8739324
Log P
3.8739324
Molar Refractivity
82.6639
Polarizability
31.300955
Polar Surface Area
20.31
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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