Molecule

ID:48088

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆Cl₂N₂
Molecular Mass
317.29704
Exact Mass
316.1473042
Charge
0
InChI
InChI=1S/C16H24N2.2ClH/c1-2-9-16-14(6-1)7-5-12-18(16)13-10-15-8-3-4-11-17-15;;/h1-2,6,9,15,17H,3-5,7-8,10-13H2;2*1H
InChIKey
DENHZIFSICVATA-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCN1CCCc2c1cccc2.Cl.Cl
Isomeric Smiles
N1(c2c(CCC1)cccc2)CCC1NCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.08784783
LogD (pH = 7.4)
0.4607815
Log P
3.1714363
Molar Refractivity
77.7992
Polarizability
29.916063
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
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Molecule Details
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References
Bioactivity
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