Molecule

ID:14339

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₄O₃
Molecular Mass
294.77832
Exact Mass
294.1458683
Charge
0
InChI
InChI=1S/C11H22N4O3.ClH/c1-4-6(2)9(10(13)17)15-11(18)7(3)14-8(16)5-12;/h6-7,9H,4-5,12H2,1-3H3,(H2,13,17)(H,14,16)(H,15,18);1H
InChIKey
CKRSMJTXCDFGHC-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NC(C(=O)NC(C(CC)C)C(=O)N)C.Cl
Isomeric Smiles
C(NC(=O)C(NC(=O)CN)C)(C(CC)C)C(=O)N.Cl
Calculated Properties
JChem
Acid pKa
12.403192
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-3.9561183
LogD (pH = 7.4)
-2.2678518
Log P
-1.6953923
Molar Refractivity
66.017
Polarizability
26.20864
Polar Surface Area
127.31
Rotatable Bonds
7
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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