Molecule

ID:42690

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO
Molecular Mass
199.24842
Exact Mass
199.09971404
Charge
0
InChI
InChI=1S/C13H13NO/c1-10-3-4-11(2)14(10)13-7-5-12(9-15)6-8-13/h3-9H,1-2H3
InChIKey
BYUCOWZETDGUAS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)n1c(C)ccc1C
Isomeric Smiles
n1(c(ccc1C)C)c1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0463893
LogD (pH = 7.4)
3.0463893
Log P
3.0463893
Molar Refractivity
72.6938
Polarizability
23.764647
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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