Molecule

ID:43006

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-7,12-13H,8-10H2
InChIKey
KQVNCFJZEZPYOS-UHFFFAOYSA-N
Canonic Smiles
O=C1C2CC=CCC2C(=O)N1Cc1ccccc1
Isomeric Smiles
N1(C(=O)C2C(C1=O)CC=CC2)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.10414
LogD (pH = 7.4)
2.10414
Log P
2.10414
Molar Refractivity
69.4561
Polarizability
26.47957
Polar Surface Area
37.38
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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