Molecule

ID:130770

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO₅
Molecular Mass
381.85056
Exact Mass
381.13430055
Charge
0
InChI
InChI=1S/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H
InChIKey
KAHMEWANVDFFCQ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCCNCC1COc2c(O1)cccc2)OC.Cl
Isomeric Smiles
COc1cccc(c1OCCNCC1COc2ccccc2O1)OC.Cl
Calculated Properties
JChem
LogD (pH = 7.4)
1.14
LogD (pH = 5.5)
-0.44
Log P
2.51
Rotatable Bonds
8
H Donor
1
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
8.76
Polar Surface Area
58.18
Polarizability
36.99
Molar Refractivity
92.89
LOG S
-3.80
Data Source
Names and Identifiers
Registration numbers
Properties
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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