Molecule

ID:46663

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)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14;/h3-6,13-14,17H,7-12H2,1-2H3;1H
InChIKey
FWSIQNVOYUCIKO-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OCCC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(CCOc2ccc(cc2)C(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.29997182
LogD (pH = 7.4)
0.7563618
Log P
3.5315576
Molar Refractivity
76.3644
Polarizability
30.173786
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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