Molecule

ID:47221

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO₃
Molecular Mass
299.79308
Exact Mass
299.12882125
Charge
0
InChI
InChI=1S/C15H21NO3.ClH/c1-2-18-15(17)13-4-3-5-14(10-13)19-11-12-6-8-16-9-7-12;/h3-5,10,12,16H,2,6-9,11H2,1H3;1H
InChIKey
IMVROQSDALVWGR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)OCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1cc(OCC2CCNCC2)ccc1)OCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.95120245
LogD (pH = 7.4)
-0.49043167
Log P
2.2802184
Molar Refractivity
74.2695
Polarizability
29.110567
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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