Molecule

ID:14394

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O
Molecular Mass
238.28446
Exact Mass
238.11061308
Charge
0
InChI
InChI=1S/C15H14N2O/c1-9-3-6-14-13(7-9)17-15(18-14)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3
InChIKey
ADAAURXAJSQCKI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(o2)c1ccc(c(c1)N)C
Isomeric Smiles
c1(c2cc(c(cc2)C)N)oc2c(n1)cc(cc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5401967
LogD (pH = 7.4)
3.5425227
Log P
3.5425525
Molar Refractivity
82.6075
Polarizability
28.834864
Polar Surface Area
52.05
Rotatable Bonds
1
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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