Molecule

ID:66558

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂
Molecular Mass
235.15344
Exact Mass
234.06905388
Charge
0
InChI
InChI=1S/C10H14N2.2ClH/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;;/h3-6H,1-2,7-8,11H2;2*1H
InChIKey
ISFTZBVGLLUPIF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCCC1.Cl.Cl
Isomeric Smiles
Nc1ccc(cc1)N1CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26708993
LogD (pH = 7.4)
1.5420088
Log P
1.6581612
Molar Refractivity
52.728
Polarizability
19.257498
Polar Surface Area
29.26
Rotatable Bonds
1
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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