Molecule

ID:112404

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO
Molecular Mass
225.2857
Exact Mass
225.11536411
Charge
0
InChI
InChI=1S/C15H15NO/c1-11-7-8-14(9-12(11)2)16-10-13-5-3-4-6-15(13)17/h3-10,17H,1-2H3
InChIKey
UMZBCFICQFILIB-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1/C=N/c1ccc(c(c1)C)C
Isomeric Smiles
Cc1ccc(cc1C)/N=C/c1ccccc1O
Calculated Properties
JChem
Acid pKa
8.833382
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.570182
LogD (pH = 7.4)
4.5551605
Log P
4.570784
Molar Refractivity
73.4509
Polarizability
26.624414
Polar Surface Area
32.59
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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