Molecule

ID:62320

General Information
Structure
Molecular Formula
C₁₀H₁₇Cl₂N₃O
Molecular Mass
266.16748
Exact Mass
265.07486754
Charge
0
InChI
InChI=1S/C10H15N3O.2ClH/c1-7-12-9(6-10(14)13-7)8-4-2-3-5-11-8;;/h6,8,11H,2-5H2,1H3,(H,12,13,14);2*1H
InChIKey
JTFFDTNCTMTMRZ-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(nc(n1)C)C1CCCCN1.Cl.Cl
Isomeric Smiles
n1c(cc(nc1C)C1NCCCC1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
12.649604
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.73320025
LogD (pH = 7.4)
0.9927354
Log P
1.5548073
Molar Refractivity
54.2542
Polarizability
20.913816
Polar Surface Area
58.04
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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