Molecule

ID:20902

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Cl₂N₂O
Molecular Mass
249.13696
Exact Mass
248.04831844
Charge
0
InChI
InChI=1S/C10H13ClN2O.ClH/c11-10-9(4-2-6-13-10)14-8-3-1-5-12-7-8;/h2,4,6,8,12H,1,3,5,7H2;1H
InChIKey
YZHBXGRQLSWPAQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncccc1OC1CCCNC1.Cl
Isomeric Smiles
c1(c(OC2CNCCC2)cccn1)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6299065
LogD (pH = 7.4)
-0.44344774
Log P
1.5232852
Molar Refractivity
56.166
Polarizability
22.070759
Polar Surface Area
34.15
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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