Molecule
ID:124755
General Information
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c1-17-13(16)11-9-10(14)5-6-12(11)15-7-3-2-4-8-15;/h5-6,9H,2-4,7-8,14H2,1H3;1H
InChIKey
XJJUTDUZWCEUGR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(N)ccc1N1CCCCC1.Cl
Isomeric Smiles
c1(c(N2CCCCC2)ccc(c1)N)C(=O)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0561306
LogD (pH = 7.4)
2.1055388
Log P
2.106207
Molar Refractivity
69.3543
Polarizability
25.50665
Polar Surface Area
55.56
Rotatable Bonds
3
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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