Molecule

ID:23467

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃ClN₂O₂
Molecular Mass
346.85112
Exact Mass
346.14480567
Charge
0
InChI
InChI=1S/C19H23ClN2O2/c1-4-12(2)15-7-5-6-8-18(15)24-13(3)19(23)22-14-9-10-16(20)17(21)11-14/h5-13H,4,21H2,1-3H3,(H,22,23)
InChIKey
MYFXIFSWODZJOP-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC(C(=O)Nc1ccc(c(c1)N)Cl)C)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)C(Oc1c(C(CC)C)cccc1)C
Calculated Properties
JChem
Acid pKa
12.690826
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.7610006
LogD (pH = 7.4)
4.7613144
Log P
4.7613206
Molar Refractivity
99.674
Polarizability
37.61172
Polar Surface Area
64.35
Rotatable Bonds
6
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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