Molecule

ID:25611

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₂
Molecular Mass
311.76226
Exact Mass
311.07130637
Charge
0
InChI
InChI=1S/C18H14ClNO2/c1-10-14(19)9-8-13-15(18(21)22)11(2)16(20-17(10)13)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,21,22)
InChIKey
ASDAJYBCQKUNCE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)c(nc2c1ccc(c2C)Cl)c1ccccc1
Isomeric Smiles
c12nc(c(c(c1ccc(c2C)Cl)C(=O)O)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.3984795
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.3579047
LogD (pH = 7.4)
2.0477111
Log P
5.4524465
Molar Refractivity
86.8869
Polarizability
35.64525
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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