Molecule

ID:104104

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O
Molecular Mass
250.724
Exact Mass
250.08729079
Charge
0
InChI
InChI=1S/C13H14N2O.ClH/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11;/h2-9,15H,14H2,1H3;1H
InChIKey
HPQQXLXIGHOKNZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)Nc1ccc(cc1)N.Cl
Isomeric Smiles
Cl.COc1ccc(Nc2ccc(N)cc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2331457
LogD (pH = 7.4)
2.4235084
Log P
2.4265745
Molar Refractivity
65.7078
Polarizability
24.728218
Polar Surface Area
47.28
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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