Molecule

ID:45581

General Information
Structure
Molecular Formula
C₁₁H₁₅ClN₂O₂
Molecular Mass
242.702
Exact Mass
242.08220541
Charge
0
InChI
InChI=1S/C11H14N2O2.ClH/c14-11(10-2-5-12-6-3-10)15-8-9-1-4-13-7-9;/h2-3,5-6,9,13H,1,4,7-8H2;1H
InChIKey
LRNXEOYGJWWCHJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccncc1)OCC1CNCC1.Cl
Isomeric Smiles
C(=O)(OCC1CNCC1)c1ccncc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.783383
LogD (pH = 7.4)
-2.6733172
Log P
0.46039736
Molar Refractivity
56.201
Polarizability
22.018927
Polar Surface Area
51.22
Rotatable Bonds
4
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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