Molecule

ID:123299

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₂
Molecular Mass
249.18002
Exact Mass
248.08470395
Charge
0
InChI
InChI=1S/C11H16N2.2ClH/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;;/h1-5,12H,6-10H2;2*1H
InChIKey
BBUJLUKPBBBXMU-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(Cc2ccccc2)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9155949
LogD (pH = 7.4)
-0.56014395
Log P
1.3787142
Molar Refractivity
55.3561
Polarizability
21.906347
Polar Surface Area
15.27
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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