Molecule

ID:47331

General Information
Structure
Molecular Formula
C₁₄H₂₀ClNO₃
Molecular Mass
285.7665
Exact Mass
285.11317119
Charge
0
InChI
InChI=1S/C14H19NO3.ClH/c1-17-14(16)13-7-3-2-5-11(13)10-18-12-6-4-8-15-9-12;/h2-3,5,7,12,15H,4,6,8-10H2,1H3;1H
InChIKey
AXBUPQANUIGUIQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1COC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1c(COC2CNCCC2)cccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2367048
LogD (pH = 7.4)
-0.247912
Log P
1.9536606
Molar Refractivity
69.586
Polarizability
27.280493
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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