Molecule

ID:45738

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-17-13-6-4-12(5-7-13)14(16)18-10-11-3-2-8-15-9-11;/h4-7,11,15H,2-3,8-10H2,1H3;1H
InChIKey
KCXWTINGXQAWCW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)OCC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)OC)OCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2642397
LogD (pH = 7.4)
-0.7487108
Log P
1.9649671
Molar Refractivity
69.4221
Polarizability
27.269678
Polar Surface Area
47.56
Rotatable Bonds
5
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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