Molecule

ID:14276

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClN₄O₂
Molecular Mass
296.75268
Exact Mass
296.10400348
Charge
0
InChI
InChI=1S/C13H16N4O2.ClH/c14-7-8-15-12(18)6-5-11-9-3-1-2-4-10(9)13(19)17-16-11;/h1-4H,5-8,14H2,(H,15,18)(H,17,19);1H
InChIKey
FXEULELPANDMCE-UHFFFAOYSA-N
Canonic Smiles
NCCNC(=O)CCc1n[nH]c(=O)c2c1cccc2.Cl
Isomeric Smiles
c12c(c(=O)[nH]nc1CCC(=O)NCCN)cccc2.Cl
Calculated Properties
JChem
Acid pKa
11.078297
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.6620934
LogD (pH = 7.4)
-2.467882
Log P
-0.8097493
Molar Refractivity
71.5583
Polarizability
26.949625
Polar Surface Area
96.58
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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