Molecule

ID:23211

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃ClN₂O₂
Molecular Mass
346.85112
Exact Mass
346.14480567
Charge
0
InChI
InChI=1S/C19H23ClN2O2/c1-12(18(23)22-14-7-10-16(20)17(21)11-14)24-15-8-5-13(6-9-15)19(2,3)4/h5-12H,21H2,1-4H3,(H,22,23)
InChIKey
WAEGDHOLAIYUFJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccc(cc1)C(C)(C)C)C)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)C(Oc1ccc(C(C)(C)C)cc1)C
Calculated Properties
JChem
Acid pKa
12.690915
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.6164656
LogD (pH = 7.4)
4.6167927
Log P
4.616799
Molar Refractivity
99.5481
Polarizability
37.60954
Polar Surface Area
64.35
Rotatable Bonds
5
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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