Molecule

ID:24288

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃O
Molecular Mass
227.69066
Exact Mass
227.08253976
Charge
0
InChI
InChI=1S/C10H14ClN3O/c11-9-4-2-1-3-8(9)7-13-6-5-10(15)14-12/h1-4,13H,5-7,12H2,(H,14,15)
InChIKey
COBWGLREIGUSMW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNCc1ccccc1Cl
Isomeric Smiles
C(=O)(CCNCc1c(Cl)cccc1)NN
Calculated Properties
JChem
Acid pKa
12.177762
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.9641658
LogD (pH = 7.4)
-0.2545152
Log P
0.74721706
Molar Refractivity
61.2011
Polarizability
23.72807
Polar Surface Area
67.15
Rotatable Bonds
5
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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