Molecule

ID:55006

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄Cl₂N₂O
Molecular Mass
261.14766
Exact Mass
260.04831844
Charge
0
InChI
InChI=1S/C11H12N2O.2ClH/c12-6-8-14-10-5-1-3-9-4-2-7-13-11(9)10;;/h1-5,7H,6,8,12H2;2*1H
InChIKey
WMWXKCCYZVYZPD-UHFFFAOYSA-N
Canonic Smiles
NCCOc1cccc2c1nccc2.Cl.Cl
Isomeric Smiles
c12ncccc2cccc1OCCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7863052
LogD (pH = 7.4)
-0.67967653
Log P
1.1762455
Molar Refractivity
54.3923
Polarizability
22.884842
Polar Surface Area
48.14
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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