Molecule

ID:47206

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClNO
Molecular Mass
269.81016
Exact Mass
269.15464207
Charge
0
InChI
InChI=1S/C15H23NO.ClH/c1-11(2)13-5-4-12(3)15(10-13)17-14-6-8-16-9-7-14;/h4-5,10-11,14,16H,6-9H2,1-3H3;1H
InChIKey
RLDLXHREONHVLY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(c(c1)OC1CCNCC1)C)C.Cl
Isomeric Smiles
c1(cc(ccc1C)C(C)C)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.010364589
LogD (pH = 7.4)
0.8546833
Log P
3.2177632
Molar Refractivity
71.9096
Polarizability
28.248682
Polar Surface Area
21.26
Rotatable Bonds
3
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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