Molecule

ID:13394

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O
Molecular Mass
245.32016
Exact Mass
245.15281224
Charge
0
InChI
InChI=1S/C14H19N3O/c1-18-14-6-3-2-5-13(14)11-15-7-4-9-17-10-8-16-12-17/h2-3,5-6,8,10,12,15H,4,7,9,11H2,1H3
InChIKey
AALABIFORUASAG-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCCCn1cncc1
Isomeric Smiles
c1ccc(c(c1)CNCCCn1ccnc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3023446
LogD (pH = 7.4)
-0.5121202
Log P
1.3408101
Molar Refractivity
72.5751
Polarizability
28.067142
Polar Surface Area
39.08
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
No Data Available
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Molecule Details
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References
Bioactivity
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