Molecule

ID:18956

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉Cl₂N₃
Molecular Mass
264.19466
Exact Mass
263.09560298
Charge
0
InChI
InChI=1S/C11H17N3.2ClH/c1-10-3-2-4-13-11(10)9-14-7-5-12-6-8-14;;/h2-4,12H,5-9H2,1H3;2*1H
InChIKey
AKNZXOWZWTVZLX-UHFFFAOYSA-N
Canonic Smiles
Cc1cccnc1CN1CCNCC1.Cl.Cl
Isomeric Smiles
c1(CN2CCNCC2)ncccc1C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.4278476
LogD (pH = 7.4)
-1.0553955
Log P
0.7559351
Molar Refractivity
57.7182
Polarizability
22.739202
Polar Surface Area
28.16
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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