Molecule

ID:46190

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-12-9-14(16(2,3)4)5-6-15(12)18-11-13-7-8-17-10-13;/h5-6,9,13,17H,7-8,10-11H2,1-4H3;1H
InChIKey
WEBBNTVVGDFGLA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1OCC1CNCC1)C(C)(C)C.Cl
Isomeric Smiles
c1(cc(c(OCC2CNCC2)cc1)C)C(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3358261
LogD (pH = 7.4)
0.49443603
Log P
3.5753992
Molar Refractivity
76.5029
Polarizability
30.093878
Polar Surface Area
21.26
Rotatable Bonds
4
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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