Molecule

ID:46500

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-13(2)15-7-3-4-8-16(15)18-11-9-14-6-5-10-17-12-14;/h3-4,7-8,13-14,17H,5-6,9-12H2,1-2H3;1H
InChIKey
KTTSJECFADIRKL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCC1CCCNC1)C.Cl
Isomeric Smiles
c1(c(OCCC2CNCCC2)cccc1)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37518916
LogD (pH = 7.4)
0.75123924
Log P
3.6095114
Molar Refractivity
76.2874
Polarizability
30.175375
Polar Surface Area
21.26
Rotatable Bonds
5
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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