Molecule

ID:21095

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆Cl₂N₂O
Molecular Mass
287.18494
Exact Mass
286.0639685
Charge
0
InChI
InChI=1S/C13H14N2O.2ClH/c1-3-10-4-2-7-15-13(10)12(5-1)16-11-6-8-14-9-11;;/h1-5,7,11,14H,6,8-9H2;2*1H
InChIKey
JMLUWJWXQLMKDU-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)Oc1cccc2c1nccc2.Cl.Cl
Isomeric Smiles
c1(c2ncccc2ccc1)OC1CCNC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6725996
LogD (pH = 7.4)
-1.1479348
Log P
1.5570277
Molar Refractivity
61.7335
Polarizability
25.835335
Polar Surface Area
34.15
Rotatable Bonds
2
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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