Molecule

ID:55558

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c1-13-9-12-14-7-8-15(12)10-11-5-3-2-4-6-11;;/h2-8,13H,9-10H2,1H3;2*1H
InChIKey
UFPGGYDAGSQWRA-UHFFFAOYSA-N
Canonic Smiles
CNCc1nccn1Cc1ccccc1.Cl.Cl
Isomeric Smiles
n1(c(ncc1)CNC)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.86395115
LogD (pH = 7.4)
0.7885722
Log P
1.4344403
Molar Refractivity
61.0971
Polarizability
23.72368
Polar Surface Area
29.85
Rotatable Bonds
4
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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