Molecule

ID:73895

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇Cl₂N₃O₂
Molecular Mass
294.17758
Exact Mass
293.06978216
Charge
0
InChI
InChI=1S/C11H15N3O2.2ClH/c15-14(16)11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;;/h1-3,8,12H,4-7,9H2;2*1H
InChIKey
BGYFKQBZFDFBMO-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1)CN1CCNCC1.Cl.Cl
Isomeric Smiles
N1(Cc2cccc(c2)[N+](=O)[O-])CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.8044146
LogD (pH = 7.4)
-0.4894471
Log P
1.3186984
Molar Refractivity
62.6808
Polarizability
23.714348
Polar Surface Area
61.09
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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