Molecule

ID:30885

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂N₂O
Molecular Mass
273.15836
Exact Mass
272.04831844
Charge
0
InChI
InChI=1S/C12H12N2O.2ClH/c13-8-10-3-5-11(6-4-10)15-12-2-1-7-14-9-12;;/h1-7,9H,8,13H2;2*1H
InChIKey
UGWOWQXPGUHQNQ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)Oc1cccnc1.Cl.Cl
Isomeric Smiles
n1cc(Oc2ccc(cc2)CN)ccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6510437
LogD (pH = 7.4)
-0.64780873
Log P
1.381629
Molar Refractivity
58.6153
Polarizability
23.135962
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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