Molecule

ID:55825

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClN₃O₃
Molecular Mass
299.75332
Exact Mass
299.10366913
Charge
0
InChI
InChI=1S/C13H17N3O3.ClH/c1-14-8-7-12-15-13(19-16-12)9-18-11-5-3-10(17-2)4-6-11;/h3-6,14H,7-9H2,1-2H3;1H
InChIKey
WLFSWLXASJFFRH-UHFFFAOYSA-N
Canonic Smiles
CNCCc1noc(n1)COc1ccc(cc1)OC.Cl
Isomeric Smiles
n1oc(nc1CCNC)COc1ccc(cc1)OC.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.7743154
LogD (pH = 7.4)
-0.49141487
Log P
1.478883
Molar Refractivity
70.9982
Polarizability
27.063366
Polar Surface Area
69.41
Rotatable Bonds
7
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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