Molecule

ID:62798

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉ClN₄O₂
Molecular Mass
274.74716
Exact Mass
274.11965355
Charge
0
InChI
InChI=1S/C11H18N4O2.ClH/c16-6-5-13-11(17)10-7-9(14-15-10)8-3-1-2-4-12-8;/h7-8,12,16H,1-6H2,(H,13,17)(H,14,15);1H
InChIKey
XEZIIIQZDSMPFX-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)c1[nH]nc(c1)C1CCCCN1.Cl
Isomeric Smiles
c1(cc(n[nH]1)C1NCCCC1)C(=O)NCCO.Cl
Calculated Properties
JChem
Acid pKa
8.949879
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-3.064286
LogD (pH = 7.4)
-1.3514873
Log P
-1.0210472
Molar Refractivity
64.5034
Polarizability
24.324093
Polar Surface Area
90.04
Rotatable Bonds
4
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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