Molecule

ID:48115

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆Cl₂N₂
Molecular Mass
317.29704
Exact Mass
316.1473042
Charge
0
InChI
InChI=1S/C16H24N2.2ClH/c1-2-6-16-13-18(11-8-15(16)5-1)10-7-14-4-3-9-17-12-14;;/h1-2,5-6,14,17H,3-4,7-13H2;2*1H
InChIKey
MKDPQQVPKUQVQD-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCN1CCc2c(C1)cccc2.Cl.Cl
Isomeric Smiles
N1(Cc2c(CC1)cccc2)CCC1CNCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.767447
LogD (pH = 7.4)
-1.691822
Log P
2.5034587
Molar Refractivity
77.4857
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
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Molecule Details
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References
Bioactivity
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