Molecule

ID:62566

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂
Molecular Mass
235.15344
Exact Mass
234.06905388
Charge
0
InChI
InChI=1S/C10H14N2.2ClH/c1-8-4-2-5-10(12-8)9-6-3-7-11-9;;/h2,4-5,9,11H,3,6-7H2,1H3;2*1H
InChIKey
DXKDVBGANBPXEK-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)C1CCCN1.Cl.Cl
Isomeric Smiles
n1c(C2NCCC2)cccc1C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0239897
LogD (pH = 7.4)
-0.9021076
Log P
1.144518
Molar Refractivity
48.5047
Polarizability
19.371254
Polar Surface Area
24.92
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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