Molecule

ID:48075

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇Cl₂N₃
Molecular Mass
284.26888
Exact Mass
283.15820324
Charge
0
InChI
InChI=1S/C12H25N3.2ClH/c1-14-8-10-15(11-9-14)7-5-12-4-2-3-6-13-12;;/h12-13H,2-11H2,1H3;2*1H
InChIKey
YVAYTXMCQIZPMG-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CCC1CCCCN1.Cl.Cl
Isomeric Smiles
N1(CCC2NCCCC2)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.2642407
LogD (pH = 7.4)
-3.1284215
Log P
0.64297855
Molar Refractivity
65.4402
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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