Molecule

ID:55878

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)15-11-6-4-3-5-10(11)14-12(15)7-8-13;;/h3-6,9H,7-8,13H2,1-2H3;2*1H
InChIKey
SRWYVGXIYYPNML-UHFFFAOYSA-N
Canonic Smiles
NCCc1nc2c(n1C(C)C)cccc2.Cl.Cl
Isomeric Smiles
c1(n(c2c(n1)cccc2)C(C)C)CCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5424458
LogD (pH = 7.4)
-0.49981502
Log P
1.6925107
Molar Refractivity
61.5324
Polarizability
25.281227
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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