Molecule

ID:24198

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂
Molecular Mass
245.14826
Exact Mass
244.05340382
Charge
0
InChI
InChI=1S/C11H13ClN2.ClH/c1-14-7-8(4-5-13)10-6-9(12)2-3-11(10)14;/h2-3,6-7H,4-5,13H2,1H3;1H
InChIKey
IDFXRJSATFOHFH-UHFFFAOYSA-N
Canonic Smiles
NCCc1cn(c2c1cc(Cl)cc2)C.Cl
Isomeric Smiles
c12c(n(cc1CCN)C)ccc(c2)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6919741
LogD (pH = 7.4)
0.06412127
Log P
2.3141582
Molar Refractivity
60.0744
Polarizability
24.30733
Polar Surface Area
30.95
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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