Molecule

ID:17664

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-11-8-14(10-16)12(2)15(11)9-13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3
InChIKey
DRUVRRDEWCSBFW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(c1C)Cc1ccccc1)C
Isomeric Smiles
n1(c(c(cc1C)C=O)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.112904
LogD (pH = 7.4)
3.112904
Log P
3.112904
Molar Refractivity
67.2095
Polarizability
24.831049
Polar Surface Area
22.0
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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