Molecule

ID:39917

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-10-4-6-11(7-5-10)12(9-14)8-13(2)3/h4-9H,1-3H3/b12-8+
InChIKey
HCAFJKINDHGUDS-XYOKQWHBSA-N
Canonic Smiles
O=C/C(=C\N(C)C)/c1ccc(cc1)C
Isomeric Smiles
C(=C\N(C)C)(/c1ccc(cc1)C)\C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6825978
LogD (pH = 7.4)
2.1336434
Log P
2.1438751
Molar Refractivity
59.5638
Polarizability
22.349073
Polar Surface Area
20.31
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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