Molecule

ID:78140

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H15ClN2O/c1-9-10(2-3-11(12)13-9)8-14-4-6-15-7-5-14/h2-3H,4-8H2,1H3
InChIKey
ZEZDQNCIVVYTRS-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)ccc1CN1CCOCC1
Isomeric Smiles
O1CCN(CC1)Cc1c(nc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0277507
LogD (pH = 7.4)
1.425672
Log P
1.4340618
Molar Refractivity
61.9759
Polarizability
23.82317
Polar Surface Area
25.36
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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