Molecule

ID:74243

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c1-2-11-10(4-5-14-11)12(3-1)15-8-6-13-7-9-15;;/h1-5,13-14H,6-9H2;2*1H
InChIKey
FHRAUNYCUBSDMF-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1cccc2c1cc[nH]2.Cl.Cl
Isomeric Smiles
[nH]1c2c(c(ccc2)N2CCNCC2)cc1.Cl.Cl
Calculated Properties
JChem
Acid pKa
17.640612
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3476027
LogD (pH = 7.4)
0.18615602
Log P
1.6441233
Molar Refractivity
62.3285
Polarizability
24.897343
Polar Surface Area
31.06
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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