Molecule

ID:14740

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃O
Molecular Mass
264.1516
Exact Mass
263.05921748
Charge
0
InChI
InChI=1S/C10H13N3O.2ClH/c1-6(14)10-12-8-5-7(11)3-4-9(8)13(10)2;;/h3-6,14H,11H2,1-2H3;2*1H
InChIKey
YRPFNOYHACWFTH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)nc(n2C)C(O)C.Cl.Cl
Isomeric Smiles
c12c(n(c(n1)C(C)O)C)ccc(c2)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.860674
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.09007272
LogD (pH = 7.4)
0.50964206
Log P
0.52883506
Molar Refractivity
55.2024
Polarizability
21.840223
Polar Surface Area
64.07
Rotatable Bonds
1
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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