Molecule

ID:46277

General Information
Structure
Molecular Formula
C₁₅H₂₂ClNO₃
Molecular Mass
299.79308
Exact Mass
299.12882125
Charge
0
InChI
InChI=1S/C15H21NO3.ClH/c1-18-15(17)13-7-2-3-8-14(13)19-11-9-12-6-4-5-10-16-12;/h2-3,7-8,12,16H,4-6,9-11H2,1H3;1H
InChIKey
QEGHGZQMRHQUMI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1OCCC1CCCCN1.Cl
Isomeric Smiles
c1(C(=O)OC)c(OCCC2NCCCC2)cccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.80079365
LogD (pH = 7.4)
-0.20789102
Log P
2.424741
Molar Refractivity
73.9485
Polarizability
29.112844
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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