Molecule

ID:47289

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O
Molecular Mass
228.71848
Exact Mass
228.10294085
Charge
0
InChI
InChI=1S/C11H16N2O.ClH/c1-3-10(7-12-5-1)9-14-11-4-2-6-13-8-11;/h2,4,6,8,10,12H,1,3,5,7,9H2;1H
InChIKey
IDUBZBANCYONGK-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)COc1cccnc1.Cl
Isomeric Smiles
N1CC(COc2cnccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5477982
LogD (pH = 7.4)
-1.8214523
Log P
0.7438178
Molar Refractivity
55.2399
Polarizability
21.95448
Polar Surface Area
34.15
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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