Molecule

ID:48086

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆Cl₂N₂
Molecular Mass
317.29704
Exact Mass
316.1473042
Charge
0
InChI
InChI=1S/C16H24N2.2ClH/c1-2-6-15-13-18(11-8-14(15)5-1)12-9-16-7-3-4-10-17-16;;/h1-2,5-6,16-17H,3-4,7-13H2;2*1H
InChIKey
WLHCZRUWCNREJC-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCN1CCc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CCC1NCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2482426
LogD (pH = 7.4)
-0.4804083
Log P
2.5602207
Molar Refractivity
77.3123
Polarizability
30.31518
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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