Molecule

ID:20843

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO
Molecular Mass
267.79428
Exact Mass
267.13899201
Charge
0
InChI
InChI=1S/C15H21NO.ClH/c1-2-8-14-12(5-1)6-3-9-15(14)17-13-7-4-10-16-11-13;/h3,6,9,13,16H,1-2,4-5,7-8,10-11H2;1H
InChIKey
GUDWIICPLOQQOW-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1cccc2c1CCCC2.Cl
Isomeric Smiles
c1(c2c(ccc1)CCCC2)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.19902287
LogD (pH = 7.4)
1.3093771
Log P
3.36899
Molar Refractivity
69.939
Polarizability
27.51067
Polar Surface Area
21.26
Rotatable Bonds
2
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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