Molecule

ID:111887

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClN₃O₂
Molecular Mass
313.82296
Exact Mass
313.1557047
Charge
0
InChI
InChI=1S/C15H23N3O2.ClH/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19;/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19);1H
InChIKey
IYEWBJUCJHKLHD-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNC(=O)c1ccc(cc1)NC(=O)C)CC.Cl
Isomeric Smiles
Cl.CCN(CC)CCNC(=O)c1ccc(NC(=O)C)cc1
Calculated Properties
JChem
Acid pKa
13.733227
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2039006
LogD (pH = 7.4)
-0.63056004
Log P
1.017533
Molar Refractivity
82.4124
Polarizability
30.613617
Polar Surface Area
61.44
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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