Molecule

ID:46685

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-2-5-14-7-9-16(10-8-14)18-13-11-15-6-3-4-12-17-15;/h7-10,15,17H,2-6,11-13H2,1H3;1H
InChIKey
OKODKEVIMHVNSU-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccc(cc1)OCCC1CCCCN1.Cl
Isomeric Smiles
N1C(CCOc2ccc(cc2)CCC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.59828806
LogD (pH = 7.4)
1.1911906
Log P
3.8238227
Molar Refractivity
76.1664
Polarizability
30.174465
Polar Surface Area
21.26
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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