Molecule

ID:24136

General Information
Structure
Molecular Formula
C₁₁H₁₇Cl₂N₃
Molecular Mass
262.17878
Exact Mass
261.07995292
Charge
0
InChI
InChI=1S/C11H15N3.2ClH/c1-3-11-13-9-7-8(12)5-6-10(9)14(11)4-2;;/h5-7H,3-4,12H2,1-2H3;2*1H
InChIKey
GYOGPDIGHQEFNQ-UHFFFAOYSA-N
Canonic Smiles
CCn1c(CC)nc2c1ccc(c2)N.Cl.Cl
Isomeric Smiles
c12n(c(nc1cc(cc2)N)CC)CC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.49414253
LogD (pH = 7.4)
1.475738
Log P
1.8346627
Molar Refractivity
58.3818
Polarizability
23.021154
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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