Molecule

ID:30164

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO
Molecular Mass
189.2536
Exact Mass
189.11536411
Charge
0
InChI
InChI=1S/C12H15NO/c1-2-13-7-3-4-11-8-10(9-14)5-6-12(11)13/h5-6,8-9H,2-4,7H2,1H3
InChIKey
HECOXRHQBXAJPZ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCc2c1ccc(c2)C=O
Isomeric Smiles
c12N(CCCc1cc(C=O)cc2)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6225567
LogD (pH = 7.4)
2.6348975
Log P
2.6350572
Molar Refractivity
59.7298
Polarizability
21.764301
Polar Surface Area
20.31
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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