Molecule

ID:58362

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO
Molecular Mass
229.31746
Exact Mass
229.14666423
Charge
0
InChI
InChI=1S/C15H19NO/c1-11-4-6-12(7-5-11)16-13-8-14(17)10-15(2,3)9-13/h4-8,16H,9-10H2,1-3H3
InChIKey
AUTYGHSAKXEUSV-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(Nc2ccc(cc2)C)CC(C1)(C)C
Isomeric Smiles
C1C(CC(=CC1=O)Nc1ccc(cc1)C)(C)C
Calculated Properties
JChem
Acid pKa
17.847013
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1940362
LogD (pH = 7.4)
3.1940527
Log P
3.194053
Molar Refractivity
73.4424
Polarizability
27.081987
Polar Surface Area
29.1
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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