Molecule

ID:14967

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO₂
Molecular Mass
299.83614
Exact Mass
299.16520676
Charge
0
InChI
InChI=1S/C16H25NO2.ClH/c1-18-15-9-8-13(12-16(15)19-2)10-11-17-14-6-4-3-5-7-14;/h8-9,12,14,17H,3-7,10-11H2,1-2H3;1H
InChIKey
ZTMKDCVVHLZTJK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNC2CCCCC2)ccc1OC.Cl
Isomeric Smiles
c1(c(ccc(c1)CCNC1CCCCC1)OC)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.0700539
LogD (pH = 7.4)
0.45227844
Log P
3.304184
Molar Refractivity
78.0016
Polarizability
30.824036
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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