Molecule

ID:80093

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈ClN
Molecular Mass
269.85322
Exact Mass
269.19102758
Charge
0
InChI
InChI=1S/C16H27N.ClH/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15;/h11-14H,2-10,17H2,1H3;1H
InChIKey
GVHBLNKHLYTGAQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCc1ccc(cc1)N.Cl
Isomeric Smiles
Nc1ccc(cc1)CCCCCCCCCC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.5765114
LogD (pH = 7.4)
5.6577177
Log P
5.6588593
Molar Refractivity
77.2086
Polarizability
29.884523
Polar Surface Area
26.02
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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