Molecule

ID:62323

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆ClN₅O
Molecular Mass
293.75204
Exact Mass
293.10433784
Charge
0
InChI
InChI=1S/C13H15N5O.ClH/c1-3-10(11-9-14-7-8-19-11)17-12(4-1)18-13-15-5-2-6-16-13;/h1-6,11,14H,7-9H2,(H,15,16,17,18);1H
InChIKey
MCMRFQDPGXSOGR-UHFFFAOYSA-N
Canonic Smiles
C1COC(CN1)c1cccc(n1)Nc1ncccn1.Cl
Isomeric Smiles
N(c1ncccn1)c1nc(C2OCCNC2)ccc1.Cl
Calculated Properties
JChem
Acid pKa
9.907281
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-1.1200413
LogD (pH = 7.4)
0.59700704
Log P
1.1785089
Molar Refractivity
70.8567
Polarizability
27.227987
Polar Surface Area
71.96
Rotatable Bonds
3
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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