Molecule

ID:47257

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO₂
Molecular Mass
285.80956
Exact Mass
285.14955669
Charge
0
InChI
InChI=1S/C15H23NO2.ClH/c1-2-11-17-14-3-5-15(6-4-14)18-12-13-7-9-16-10-8-13;/h3-6,13,16H,2,7-12H2,1H3;1H
InChIKey
JVZOSKTTWNIYGK-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)OCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(COc2ccc(cc2)OCCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5898283
LogD (pH = 7.4)
-0.12905751
Log P
2.6415925
Molar Refractivity
73.2314
Polarizability
29.05755
Polar Surface Area
30.49
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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