Molecule

ID:46767

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄ClNO₃
Molecular Mass
313.81966
Exact Mass
313.14447131
Charge
0
InChI
InChI=1S/C16H23NO3.ClH/c1-19-16(18)15-5-3-2-4-14(15)12-20-11-8-13-6-9-17-10-7-13;/h2-5,13,17H,6-12H2,1H3;1H
InChIKey
CXSVXHUUDJUMCI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1COCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1c(COCCC2CCNCC2)cccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.90811235
LogD (pH = 7.4)
-0.4517225
Log P
2.3234735
Molar Refractivity
79.3028
Polarizability
30.962313
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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