Molecule

ID:30505

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₅Cl₂N₃
Molecular Mass
258.2316
Exact Mass
257.14255318
Charge
0
InChI
InChI=1S/C10H23N3.2ClH/c1-3-12(4-2)9-10-13-7-5-11-6-8-13;;/h11H,3-10H2,1-2H3;2*1H
InChIKey
KKHCPKCGJNUJEO-UHFFFAOYSA-N
Canonic Smiles
CCN(CCN1CCNCC1)CC.Cl.Cl
Isomeric Smiles
N1(CCN(CC)CC)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.1299286
LogD (pH = 7.4)
-3.6558325
Log P
0.38650155
Molar Refractivity
58.2598
Polarizability
23.024387
Polar Surface Area
18.51
Rotatable Bonds
5
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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