Molecule

ID:41923

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉N₃O₂
Molecular Mass
285.34096
Exact Mass
285.14772686
Charge
0
InChI
InChI=1S/C16H19N3O2/c1-2-21-16(20)12-5-9-19(10-6-12)13-3-4-14-15(11-13)18-8-7-17-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3
InChIKey
KOVORMCNOSZKJB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)c1ccc2c(c1)nccn2
Isomeric Smiles
N1(c2cc3nccnc3cc2)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9477338
LogD (pH = 7.4)
1.9824734
Log P
1.9829348
Molar Refractivity
79.7786
Polarizability
31.955708
Polar Surface Area
55.32
Rotatable Bonds
4
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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