Molecule

ID:45891

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H14N2O2.ClH/c14-11(9-3-1-5-12-7-9)15-10-4-2-6-13-8-10;/h1,3,5,7,10,13H,2,4,6,8H2;1H
InChIKey
ZGFBLNATAXQBAF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(c1cnccc1)OC1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2688444
LogD (pH = 7.4)
-0.98771167
Log P
0.8602115
Molar Refractivity
55.862
Polarizability
22.018822
Polar Surface Area
51.22
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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