Molecule

ID:34398

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O
Molecular Mass
274.7454
Exact Mass
274.08729079
Charge
0
InChI
InChI=1S/C15H14N2O.ClH/c1-17-11-12-6-8-14(9-7-12)18-15-5-3-2-4-13(15)10-16;/h2-9,17H,11H2,1H3;1H
InChIKey
SGNFNBBWBQJJPV-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)Oc1ccccc1C#N.Cl
Isomeric Smiles
N#Cc1c(Oc2ccc(cc2)CNC)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.291517
LogD (pH = 7.4)
0.76703495
Log P
2.887978
Molar Refractivity
71.2684
Polarizability
27.71683
Polar Surface Area
45.05
Rotatable Bonds
4
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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