Molecule

ID:59589

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₃
Molecular Mass
306.7442
Exact Mass
306.07712003
Charge
0
InChI
InChI=1S/C15H15ClN2O3/c1-21-15(20)13-6-10-9-4-2-3-5-11(9)17-12(10)8-18(13)14(19)7-16/h2-5,13,17H,6-8H2,1H3/t13-/m1/s1
InChIKey
CZYDHLJERNCTMG-CYBMUJFWSA-N
Canonic Smiles
ClCC(=O)N1Cc2[nH]c3c(c2C[C@@H]1C(=O)OC)cccc3
Isomeric Smiles
N1([C@H](Cc2c([nH]c3c2cccc3)C1)C(=O)OC)C(=O)CCl
Calculated Properties
JChem
Acid pKa
15.358084
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.573366
LogD (pH = 7.4)
1.573366
Log P
1.573366
Molar Refractivity
78.4977
Polarizability
31.49382
Polar Surface Area
62.4
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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