Molecule

ID:11351

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO
Molecular Mass
263.76252
Exact Mass
263.10769188
Charge
0
InChI
InChI=1S/C15H17NO.ClH/c17-12-15-9-5-4-8-14(15)11-16-10-13-6-2-1-3-7-13;/h1-9,16-17H,10-12H2;1H
InChIKey
AFEAYJZKYIUNBF-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1CNCc1ccccc1.Cl
Isomeric Smiles
c1(c(CO)cccc1)CNCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
14.946565
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.46020913
LogD (pH = 7.4)
1.118138
Log P
2.488718
Molar Refractivity
70.7345
Polarizability
27.634554
Polar Surface Area
32.26
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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