Molecule

ID:129390

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₇ClN₂O₄
Molecular Mass
382.88168
Exact Mass
382.16593503
Charge
0
InChI
InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
InChIKey
AOOSJYIINXVNHV-UHFFFAOYSA-N
Canonic Smiles
CCCCN1CCC(CC1)COC(=O)c1cc(Cl)c(c2c1OCCO2)N
Isomeric Smiles
Nc1c2OCCOc2c(cc1Cl)C(=O)OCC1CCN(CCCC)CC1
Calculated Properties
JChem
Acid pKa
16.279446
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.38055974
LogD (pH = 7.4)
0.5556127
Log P
3.0762799
Molar Refractivity
102.6886
Polarizability
39.48128
Polar Surface Area
74.02
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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