Molecule

ID:17245

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c16-10-11-9-15(12-5-1-2-6-12)14-8-4-3-7-13(11)14/h3-4,7-10,12H,1-2,5-6H2
InChIKey
JTCDNBKTOGJFBY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)C1CCCC1
Isomeric Smiles
c12n(C3CCCC3)cc(c1cccc2)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.362888
LogD (pH = 7.4)
3.362888
Log P
3.362888
Molar Refractivity
65.0384
Polarizability
25.880592
Polar Surface Area
22.0
Rotatable Bonds
2
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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