Molecule

ID:69340

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₃
Molecular Mass
327.76166
Exact Mass
327.06622099
Charge
0
InChI
InChI=1S/C18H14ClNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22)
InChIKey
WWXPGBMLOCYWLD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1cc2ccccc2cc1O)Cl
Isomeric Smiles
c1c(c(cc2ccccc12)O)C(=O)Nc1c(ccc(c1)Cl)OC
Calculated Properties
JChem
Acid pKa
7.696328
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.194682
LogD (pH = 7.4)
4.021451
Log P
4.1974154
Molar Refractivity
91.2906
Polarizability
35.41877
Polar Surface Area
58.56
Rotatable Bonds
3
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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