Molecule

ID:45892

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H14N2O2.ClH/c14-11(9-2-1-5-13-8-9)15-10-3-6-12-7-4-10;/h1-2,5,8,10,12H,3-4,6-7H2;1H
InChIKey
KVNOMYVDJADGIL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1)OC1CCNCC1.Cl
Isomeric Smiles
C(=O)(c1cnccc1)OC1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8191786
LogD (pH = 7.4)
-2.127343
Log P
0.40280855
Molar Refractivity
56.0828
Polarizability
22.018831
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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