Molecule

ID:61620

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅N₃O
Molecular Mass
265.3098
Exact Mass
265.12151212
Charge
0
InChI
InChI=1S/C16H15N3O/c1-11-18-15-8-7-13(9-14(15)16(17)19-11)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKey
OQINFSCVJQFSEM-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(N)c2c(n1)ccc(c2)OCc1ccccc1
Isomeric Smiles
n1c(nc(c2cc(ccc12)OCc1ccccc1)N)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.6808953
LogD (pH = 7.4)
3.2999454
Log P
3.3181248
Molar Refractivity
79.5146
Polarizability
31.088545
Polar Surface Area
61.03
Rotatable Bonds
3
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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