Molecule

ID:48868

General Information
Structure
Molecular Formula
C₁₃H₁₉ClN₂O
Molecular Mass
254.75576
Exact Mass
254.11859092
Charge
0
InChI
InChI=1S/C13H18N2O.ClH/c1-13(2,14)12(16)15-9-5-7-10-6-3-4-8-11(10)15;/h3-4,6,8H,5,7,9,14H2,1-2H3;1H
InChIKey
MZFNCJIFGRLICL-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)N1CCCc2c1cccc2.Cl
Isomeric Smiles
N1(C(=O)C(N)(C)C)c2c(CCC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0653117
LogD (pH = 7.4)
0.53210825
Log P
1.6368797
Molar Refractivity
64.5144
Polarizability
25.214897
Polar Surface Area
46.33
Rotatable Bonds
1
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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