Molecule

ID:77105

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO
Molecular Mass
237.2964
Exact Mass
237.11536411
Charge
0
InChI
InChI=1S/C16H15NO/c1-2-11-18-16-9-7-15(8-10-16)14-5-3-13(12-17)4-6-14/h3-10H,2,11H2,1H3
InChIKey
RZCQJZFWJZHMPK-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)c1ccc(cc1)C#N
Isomeric Smiles
O(c1ccc(cc1)c1ccc(cc1)C#N)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1982265
LogD (pH = 7.4)
4.1982265
Log P
4.1982265
Molar Refractivity
72.6516
Polarizability
29.39788
Polar Surface Area
33.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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