Molecule

ID:77104

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO
Molecular Mass
251.32298
Exact Mass
251.13101417
Charge
0
InChI
InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3
InChIKey
KPQVQWUNELODQE-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)c1ccc(cc1)C#N
Isomeric Smiles
O(c1ccc(cc1)c1ccc(cc1)C#N)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.642795
LogD (pH = 7.4)
4.642795
Log P
4.642795
Molar Refractivity
77.2526
Polarizability
31.244875
Polar Surface Area
33.02
Rotatable Bonds
5
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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