Molecule

ID:48058

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈Cl₂N₂
Molecular Mass
261.19072
Exact Mass
260.08470395
Charge
0
InChI
InChI=1S/C12H16N2.2ClH/c1-2-4-12-10(3-1)6-8-14(12)11-5-7-13-9-11;;/h1-4,11,13H,5-9H2;2*1H
InChIKey
IISPGFJCBJMNHN-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)N1CCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CC1)cccc2)C1CCNC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5289341
LogD (pH = 7.4)
-1.1390095
Log P
1.7049767
Molar Refractivity
59.0872
Polarizability
22.529581
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
No Data Available
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Molecule Details
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References
Bioactivity
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