Molecule

ID:18719

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂N₃O
Molecular Mass
264.1516
Exact Mass
263.05921748
Charge
0
InChI
InChI=1S/C10H13N3O.2ClH/c11-8-2-3-10-9(6-8)12-7-13(10)4-1-5-14;;/h2-3,6-7,14H,1,4-5,11H2;2*1H
InChIKey
KSWJPQLODICWMW-UHFFFAOYSA-N
Canonic Smiles
OCCCn1cnc2c1ccc(c2)N.Cl.Cl
Isomeric Smiles
n1c2c(n(c1)CCCO)ccc(c2)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.9230795
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8492526
LogD (pH = 7.4)
-0.1338619
Log P
0.024111837
Molar Refractivity
55.7233
Polarizability
21.843082
Polar Surface Area
64.07
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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