Molecule

ID:23473

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅ClN₂O₂
Molecular Mass
360.8777
Exact Mass
360.16045573
Charge
0
InChI
InChI=1S/C20H25ClN2O2/c1-4-13(3)15-8-6-7-9-19(15)25-18(5-2)20(24)23-14-10-11-16(21)17(22)12-14/h6-13,18H,4-5,22H2,1-3H3,(H,23,24)
InChIKey
DPDZPRYITSPGLV-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Nc1ccc(c(c1)N)Cl)Oc1ccccc1C(CC)C
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)C(Oc1c(C(CC)C)cccc1)CC
Calculated Properties
JChem
Acid pKa
12.589581
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
5.283502
LogD (pH = 7.4)
5.283836
Log P
5.283843
Molar Refractivity
104.198
Polarizability
39.452576
Polar Surface Area
64.35
Rotatable Bonds
7
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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