Molecule

ID:31082

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9,14,16H,15H2,1H3
InChIKey
KRCULPGAHLEVKP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(c1cccc(c1)N)O
Isomeric Smiles
c1(C(c2ccc(cc2)OC)O)cc(N)ccc1
Calculated Properties
JChem
Acid pKa
13.820632
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9905218
LogD (pH = 7.4)
2.0033724
Log P
2.003539
Molar Refractivity
68.3203
Polarizability
26.033676
Polar Surface Area
55.48
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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