Molecule

ID:36227

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO
Molecular Mass
237.2964
Exact Mass
237.11536411
Charge
0
InChI
InChI=1S/C16H15NO/c1-12-3-2-4-13(11-12)5-10-16(18)14-6-8-15(17)9-7-14/h2-11H,17H2,1H3/b10-5+
InChIKey
NCWVAIXVAYKEKY-BJMVGYQFSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1cccc(c1)C
Isomeric Smiles
C(=C\c1cc(ccc1)C)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.430859
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5728848
LogD (pH = 7.4)
3.5747962
Log P
3.5748208
Molar Refractivity
76.6186
Polarizability
28.277931
Polar Surface Area
43.09
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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