Molecule

ID:46516

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-12-9-13(2)14(3)16(10-12)18-8-6-15-5-4-7-17-11-15;/h9-10,15,17H,4-8,11H2,1-3H3;1H
InChIKey
ZYRXVKBTYMNLLT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCC2CCCNC2)c(c(c1)C)C.Cl
Isomeric Smiles
c1(c(c(cc(c1)C)C)C)OCCC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6704442
LogD (pH = 7.4)
1.0464942
Log P
3.9047663
Molar Refractivity
77.2202
Polarizability
30.01677
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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