Molecule

ID:51514

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆Cl₂N₂
Molecular Mass
235.15344
Exact Mass
234.06905388
Charge
0
InChI
InChI=1S/C10H14N2.2ClH/c1-2-6-12-10(3-1)9-4-7-11-8-5-9;;/h1-3,6,9,11H,4-5,7-8H2;2*1H
InChIKey
NXCFRWODOJQICL-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1ccccn1.Cl.Cl
Isomeric Smiles
n1c(C2CCNCC2)cccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2316983
LogD (pH = 7.4)
-1.5003276
Log P
0.99052143
Molar Refractivity
48.9242
Polarizability
19.37373
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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