Molecule

ID:14088

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClN₂O₂
Molecular Mass
294.77656
Exact Mass
294.11350554
Charge
0
InChI
InChI=1S/C15H18N2O2.ClH/c1-18-14-4-3-13(15(9-14)19-2)11-17-10-12-5-7-16-8-6-12;/h3-9,17H,10-11H2,1-2H3;1H
InChIKey
AXVQCZYMXOEQML-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1CNCc1ccncc1.Cl
Isomeric Smiles
c1(ccc(cc1OC)OC)CNCc1ccncc1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.82257587
LogD (pH = 7.4)
0.9109763
Log P
1.7230529
Molar Refractivity
74.6881
Polarizability
29.264225
Polar Surface Area
43.38
Rotatable Bonds
6
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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