Molecule

ID:48751

General Information
Structure
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c1-9(13)12(15)14-7-6-10-4-2-3-5-11(10)8-14;/h2-5,9H,6-8,13H2,1H3;1H
InChIKey
UAVAMSQTIQDUFK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c(C1)cccc2)C(N)C.Cl
Isomeric Smiles
N1(C(=O)C(N)C)Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8238628
LogD (pH = 7.4)
-0.19418277
Log P
0.8260598
Molar Refractivity
60.0351
Polarizability
23.38033
Polar Surface Area
46.33
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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