Molecule

ID:46774

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-17-14(16)13-4-2-11(3-5-13)9-18-10-12-6-7-15-8-12;/h2-5,12,15H,6-10H2,1H3;1H
InChIKey
AQRZAUITYPGFMH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)COCC1CNCC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)COCC1CNCC1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6866313
LogD (pH = 7.4)
-1.5800194
Log P
1.5538465
Molar Refractivity
69.925
Polarizability
27.280005
Polar Surface Area
47.56
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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