Molecule

ID:117559

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O
Molecular Mass
241.2884
Exact Mass
241.12151212
Charge
0
InChI
InChI=1S/C14H15N3O/c15-14(16)17-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H4,15,16,17)
InChIKey
QDBVHKSIRVWEEF-UHFFFAOYSA-N
Canonic Smiles
NC(=N)Nc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=N)(Nc1ccc(OCc2ccccc2)cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.10057686
LogD (pH = 7.4)
0.23378272
Log P
2.5140407
Molar Refractivity
83.2676
Polarizability
27.278269
Polar Surface Area
71.13
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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