Molecule

ID:15360

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClNO
Molecular Mass
267.79428
Exact Mass
267.13899201
Charge
0
InChI
InChI=1S/C15H21NO.ClH/c1-4-13-6-7-15(9-14(13)5-1)17-11-12-3-2-8-16-10-12;/h6-7,9,12,16H,1-5,8,10-11H2;1H
InChIKey
HCKBCGBHQMRFOX-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1ccc2c(c1)CCC2.Cl
Isomeric Smiles
c12c(ccc(c1)OCC1CCCNC1)CCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.25271145
LogD (pH = 7.4)
0.40487576
Log P
2.9691758
Molar Refractivity
70.278
Polarizability
27.509346
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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