Molecule

ID:48867

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c1-12(2,13)11(15)14-8-7-9-5-3-4-6-10(9)14;/h3-6H,7-8,13H2,1-2H3;1H
InChIKey
FUNPIEVEPQSLPA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)N1CCc2c1cccc2.Cl
Isomeric Smiles
N1(C(=O)C(N)(C)C)c2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5098773
LogD (pH = 7.4)
0.087544784
Log P
1.192311
Molar Refractivity
59.9134
Polarizability
23.370527
Polar Surface Area
46.33
Rotatable Bonds
1
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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