Molecule

ID:20981

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)10-11-2-4-12(5-3-11)18-13-6-8-15-9-7-13;/h2-5,13,15H,6-10H2,1H3;1H
InChIKey
RJILKTSWJZJOBT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(cc1)OC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Oc2ccc(CC(=O)OC)cc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9644237
LogD (pH = 7.4)
-1.120105
Log P
1.2429751
Molar Refractivity
68.7543
Polarizability
27.295685
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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