Molecule

ID:45573

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H14N2O2.ClH/c14-11(9-3-6-12-7-4-9)15-10-2-1-5-13-8-10;/h3-4,6-7,10,13H,1-2,5,8H2;1H
InChIKey
MXKXALIQVSLLPD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccncc1)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OC1CNCCC1)c1ccncc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2699416
LogD (pH = 7.4)
-0.98772585
Log P
0.8602115
Molar Refractivity
55.862
Polarizability
22.018894
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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