Molecule
ID:48926
General Information
Molecular Formula
C₁₄H₁₉ClN₂O
Molecular Mass
266.76646
Exact Mass
266.11859092
Charge
0
InChI
InChI=1S/C14H18N2O.ClH/c17-14(12-7-3-9-15-12)16-10-4-6-11-5-1-2-8-13(11)16;/h1-2,5,8,12,15H,3-4,6-7,9-10H2;1H
InChIKey
FEHLFEXSASDQND-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCc2c1cccc2)C1CCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCC2)c2c(CCC1)cccc2.Cl
Calculated Properties
JChem
Acid pKa
18.122913
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4836451
LogD (pH = 7.4)
-0.37007466
Log P
1.6856837
Molar Refractivity
67.3681
Polarizability
26.32575
Polar Surface Area
32.34
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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