Molecule

ID:11060

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇Cl₂N₃
Molecular Mass
250.16808
Exact Mass
249.07995292
Charge
0
InChI
InChI=1S/C10H15N3.2ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;;/h1-4,12H,5-8,11H2;2*1H
InChIKey
QSLLWMDOKXNNCZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCNCC1.Cl.Cl
Isomeric Smiles
N1(c2ccc(N)cc2)CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.8272436
LogD (pH = 7.4)
-0.8366402
Log P
0.7164354
Molar Refractivity
55.9424
Polarizability
20.780043
Polar Surface Area
41.29
Rotatable Bonds
1
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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