Molecule

ID:17470

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₂
Molecular Mass
205.253
Exact Mass
205.11027873
Charge
0
InChI
InChI=1S/C12H15NO2/c14-12(15)10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
InChIKey
FLQRORYAJSTYLT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)cc(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.193972
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.207535
LogD (pH = 7.4)
0.014721376
Log P
1.2699858
Molar Refractivity
59.8848
Polarizability
22.269361
Polar Surface Area
40.54
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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