Molecule

ID:11172

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₂N₂
Molecular Mass
247.16414
Exact Mass
246.06905388
Charge
0
InChI
InChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H
InChIKey
OVVARYZAMVDNDQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CN1CCNCC1.Cl
Isomeric Smiles
c1(CN2CCNCC2)c(Cl)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1470308
LogD (pH = 7.4)
0.17033474
Log P
1.9827589
Molar Refractivity
60.1609
Polarizability
23.723797
Polar Surface Area
15.27
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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