Molecule

ID:48161

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₃Cl₂N₃
Molecular Mass
256.21572
Exact Mass
255.12690311
Charge
0
InChI
InChI=1S/C10H21N3.2ClH/c1-12-4-6-13(7-5-12)9-10-2-3-11-8-10;;/h10-11H,2-9H2,1H3;2*1H
InChIKey
IKNSMRVHFWNHBF-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CC1CNCC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCC2)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.0880547
LogD (pH = 7.4)
-4.2393165
Log P
-0.26136395
Molar Refractivity
56.3128
Polarizability
22.286194
Polar Surface Area
18.51
Rotatable Bonds
2
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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