Molecule

ID:121037

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂N₃
Molecular Mass
276.20536
Exact Mass
275.09560298
Charge
0
InChI
InChI=1S/C12H17N3.2ClH/c1-9(2)12-14-10-5-3-4-6-11(10)15(12)8-7-13;;/h3-6,9H,7-8,13H2,1-2H3;2*1H
InChIKey
SOFDDYALEHIQBI-UHFFFAOYSA-N
Canonic Smiles
NCCn1c(nc2c1cccc2)C(C)C.Cl.Cl
Isomeric Smiles
c1(nc2c(n1CCN)cccc2)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4639622
LogD (pH = 7.4)
-0.1756746
Log P
2.052783
Molar Refractivity
61.4571
Polarizability
25.281263
Polar Surface Area
43.84
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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