Molecule

ID:50931

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂N₃
Molecular Mass
274.18948
Exact Mass
273.07995292
Charge
0
InChI
InChI=1S/C12H15N3.2ClH/c1-9-3-5-10(6-4-9)11(13)12-14-7-8-15(12)2;;/h3-8,11H,13H2,1-2H3;2*1H
InChIKey
QMQDNVHYOSPAGV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(c1nccn1C)N.Cl.Cl
Isomeric Smiles
c1(n(ccn1)C)C(c1ccc(cc1)C)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41714057
LogD (pH = 7.4)
1.2199993
Log P
1.7272376
Molar Refractivity
61.109
Polarizability
23.639597
Polar Surface Area
43.84
Rotatable Bonds
2
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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