Molecule

ID:46566

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-2-19-16(18)14-4-3-5-15(12-14)20-11-8-13-6-9-17-10-7-13;/h3-5,12-13,17H,2,6-11H2,1H3;1H
InChIKey
HTPCRRMHEUHAES-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)OCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1cc(OCCC2CCNCC2)ccc1)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5847524
LogD (pH = 7.4)
-0.12836243
Log P
2.6468334
Molar Refractivity
78.9475
Polarizability
30.9518
Polar Surface Area
47.56
Rotatable Bonds
7
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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