Molecule

ID:62857

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉Cl₂N₃O
Molecular Mass
268.18336
Exact Mass
267.0905176
Charge
0
InChI
InChI=1S/C10H17N3O.2ClH/c1-10(3-5-11-6-4-10)8-7-9(14)13(2)12-8;;/h7,11,14H,3-6H2,1-2H3;2*1H
InChIKey
WYIILKGZMOHQAQ-UHFFFAOYSA-N
Canonic Smiles
CC1(CCNCC1)c1cc(n(n1)C)O.Cl.Cl
Isomeric Smiles
n1n(c(cc1C1(CCNCC1)C)O)C.Cl.Cl
Calculated Properties
JChem
Acid pKa
6.9927106
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2605027
LogD (pH = 7.4)
0.058853477
Log P
0.15790598
Molar Refractivity
65.7197
Polarizability
21.271505
Polar Surface Area
50.08
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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