Molecule

ID:73341

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈Cl₂N₂
Molecular Mass
285.21212
Exact Mass
284.08470395
Charge
0
InChI
InChI=1S/C14H16N2.2ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;;/h1-7,15H,8-11H2;2*1H
InChIKey
ZGMNVJGEEHEXIQ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)c1cccc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2cccc3c2cccc3)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.46359554
LogD (pH = 7.4)
1.0621687
Log P
2.534838
Molar Refractivity
67.6922
Polarizability
27.261673
Polar Surface Area
15.27
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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