Molecule

ID:73027

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN₃O₅
Molecular Mass
293.70414
Exact Mass
293.07784831
Charge
0
InChI
InChI=1S/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H
InChIKey
ULFCBIUXQQYDEI-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)NNCc1ccc(c(c1O)O)O)N.Cl
Isomeric Smiles
c1(c(c(c(cc1)CNNC(=O)C(N)CO)O)O)O.Cl
Calculated Properties
JChem
LogD (pH = 7.4)
-2.07
LogD (pH = 5.5)
-3.66
Log P
-1.90
Rotatable Bonds
5
H Donor
7
H Acceptors
7
Lipinski's Rule of Five
false
Acid pKa
7.48
Polar Surface Area
148.07
Polarizability
24.91
Molar Refractivity
73.23
LOG S
-0.13
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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