Molecule

ID:26830

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H17ClN2O/c1-16-12-3-2-11(13)8-10(12)9-15-6-4-14-5-7-15/h2-3,8,14H,4-7,9H2,1H3
InChIKey
DWELHCAXFIUDQR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCNCC1)Cl
Isomeric Smiles
c1(CN2CCNCC2)c(ccc(c1)Cl)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2945874
LogD (pH = 7.4)
0.019124042
Log P
1.8250877
Molar Refractivity
66.6241
Polarizability
26.229029
Polar Surface Area
24.5
Rotatable Bonds
3
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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