Molecule

ID:62337

General Information
Structure
Molecular Formula
C₁₀H₁₇Cl₂N₃O
Molecular Mass
266.16748
Exact Mass
265.07486754
Charge
0
InChI
InChI=1S/C10H15N3O.2ClH/c1-7-6-9(14)13-10(12-7)8-2-4-11-5-3-8;;/h6,8,11H,2-5H2,1H3,(H,12,13,14);2*1H
InChIKey
CEMUTLJJAJQPLQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)nc(n1)C1CCNCC1.Cl.Cl
Isomeric Smiles
n1c(nc(cc1O)C)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
13.44381
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.2083528
LogD (pH = 7.4)
-1.2931604
Log P
1.1186047
Molar Refractivity
54.6642
Polarizability
20.839746
Polar Surface Area
58.04
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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