Molecule

ID:30849

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄Cl₂N₂O
Molecular Mass
273.15836
Exact Mass
272.04831844
Charge
0
InChI
InChI=1S/C12H12N2O.2ClH/c13-11-6-1-2-7-12(11)15-9-10-5-3-4-8-14-10;;/h1-8H,9,13H2;2*1H
InChIKey
MIJDDIMQMYTBGD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1OCc1ccccn1.Cl.Cl
Isomeric Smiles
O(c1c(N)cccc1)Cc1ncccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5457188
LogD (pH = 7.4)
1.5745459
Log P
1.5749211
Molar Refractivity
59.1551
Polarizability
22.683834
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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