Molecule

ID:31376

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇Cl₂N₃
Molecular Mass
284.26888
Exact Mass
283.15820324
Charge
0
InChI
InChI=1S/C12H25N3.2ClH/c1-2-7-14(8-3-1)11-12-15-9-4-5-13-6-10-15;;/h13H,1-12H2;2*1H
InChIKey
JDHUYWRKURAEAV-UHFFFAOYSA-N
Canonic Smiles
C1CCN(CC1)CCN1CCNCCC1.Cl.Cl
Isomeric Smiles
N1(CCN2CCCCC2)CCCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.945867
LogD (pH = 7.4)
-3.8221085
Log P
0.5832115
Molar Refractivity
65.77
Polarizability
25.977915
Polar Surface Area
18.51
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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