Molecule

ID:130859

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉ClN₂O₃
Molecular Mass
344.87676
Exact Mass
344.18667048
Charge
0
InChI
InChI=1S/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H
InChIKey
PRGUDWLMFLCODA-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC.Cl
Isomeric Smiles
CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC.Cl
Calculated Properties
JChem
Acid pKa
19.758059
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.13483523
LogD (pH = 7.4)
1.4779223
Log P
3.046285
Molar Refractivity
90.6368
Polarizability
34.663467
Polar Surface Area
64.79
Rotatable Bonds
11
Lipinski's Rule of Five
true
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
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References
Bioactivity
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