Molecule

ID:43015

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c17-15(16-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H,(H,16,17)/b12-11+
InChIKey
FIIZQHKGJMRJIL-VAWYXSNFSA-N
Canonic Smiles
O=C(Nc1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
C(=O)(/C=C/c1ccccc1)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
14.58136
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.570388
LogD (pH = 7.4)
3.570388
Log P
3.570388
Molar Refractivity
71.3372
Polarizability
26.517017
Polar Surface Area
29.1
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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