Molecule

ID:15855

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₂
Molecular Mass
249.18002
Exact Mass
248.08470395
Charge
0
InChI
InChI=1S/C11H16N2.2ClH/c1-13-8-7-12-9-11(13)10-5-3-2-4-6-10;;/h2-6,11-12H,7-9H2,1H3;2*1H
InChIKey
UUWIVSPJWMORHM-UHFFFAOYSA-N
Canonic Smiles
CN1CCNCC1c1ccccc1.Cl.Cl
Isomeric Smiles
N1(C(CNCC1)c1ccccc1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8025811
LogD (pH = 7.4)
-0.30035526
Log P
1.4384813
Molar Refractivity
55.0263
Polarizability
21.905655
Polar Surface Area
15.27
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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