Molecule

ID:55653

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃O
Molecular Mass
278.17818
Exact Mass
277.07486754
Charge
0
InChI
InChI=1S/C11H15N3O.2ClH/c1-2-14-6-5-13-11(14)9-12-8-10-4-3-7-15-10;;/h3-7,12H,2,8-9H2,1H3;2*1H
InChIKey
DEUPVPSYTSJBAC-UHFFFAOYSA-N
Canonic Smiles
CCn1ccnc1CNCc1ccco1.Cl.Cl
Isomeric Smiles
c1(n(ccn1)CC)CNCc1occc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.09642771
LogD (pH = 7.4)
0.80739635
Log P
0.85149485
Molar Refractivity
58.2366
Polarizability
22.406487
Polar Surface Area
42.99
Rotatable Bonds
5
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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