Molecule

ID:78508

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-13(2,3)11-8-10-6-4-5-7-14(10)12(11)9-15/h4-9H,1-3H3
InChIKey
KEIBKRMCZZZUTD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1n2ccccc2cc1C(C)(C)C
Isomeric Smiles
n12ccccc1cc(c2C=O)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7873194
LogD (pH = 7.4)
2.7873194
Log P
2.7873194
Molar Refractivity
63.2681
Polarizability
24.067408
Polar Surface Area
21.48
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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