Molecule

ID:16670

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c1-10(15-8-6-14-7-9-15)11-2-4-12(13)5-3-11/h2-5,10,14H,6-9H2,1H3
InChIKey
TXDDMVIATVZSAM-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)Cl)N1CCNCC1
Isomeric Smiles
c1(C(N2CCNCC2)C)ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7403925
LogD (pH = 7.4)
0.5810503
Log P
2.399334
Molar Refractivity
64.5797
Polarizability
25.562662
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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