Molecule

ID:121662

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅N₃O₃
Molecular Mass
297.3086
Exact Mass
297.11134136
Charge
0
InChI
InChI=1S/C16H15N3O3/c1-20-13-7-6-10(9-14(13)21-2)15-18-16(22-19-15)11-4-3-5-12(17)8-11/h3-9H,17H2,1-2H3
InChIKey
JKZHAMZHXAJVCI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1noc(n1)c1cccc(c1)N
Isomeric Smiles
n1c(noc1c1cc(N)ccc1)c1cc(c(cc1)OC)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
3.026038
LogD (pH = 7.4)
3.02742
Log P
3.0274377
Molar Refractivity
104.8136
Polarizability
32.16705
Polar Surface Area
83.4
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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