Molecule

ID:20388

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₃
Molecular Mass
257.2845
Exact Mass
257.10519335
Charge
0
InChI
InChI=1S/C15H15NO3/c1-10-9-12(16)5-8-14(10)19-13-6-3-11(4-7-13)15(17)18-2/h3-9H,16H2,1-2H3
InChIKey
WPRRJRURDVRCRB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Oc1ccc(cc1C)N
Isomeric Smiles
C(=O)(c1ccc(Oc2c(cc(N)cc2)C)cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.122785
LogD (pH = 7.4)
3.1609955
Log P
3.1615055
Molar Refractivity
74.0657
Polarizability
27.976553
Polar Surface Area
61.55
Rotatable Bonds
4
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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