Molecule

ID:53764

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₄
Molecular Mass
315.79248
Exact Mass
315.12373587
Charge
0
InChI
InChI=1S/C15H21NO4.ClH/c1-18-14-9-12(15(17)19-2)3-4-13(14)20-10-11-5-7-16-8-6-11;/h3-4,9,11,16H,5-8,10H2,1-2H3;1H
InChIKey
LTCRCAZFDRHEJS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)OC)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1cc(c(OCC2CCNCC2)cc1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4656817
LogD (pH = 7.4)
-1.004911
Log P
1.7657392
Molar Refractivity
75.9841
Polarizability
29.7993
Polar Surface Area
56.79
Rotatable Bonds
6
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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