Molecule

ID:86345

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-3-17-14(16)12-8-13(18-9(12)2)10-4-6-11(15)7-5-10/h4-8H,3,15H2,1-2H3
InChIKey
HOOXMKJYQNXIIY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(oc1C)c1ccc(cc1)N
Isomeric Smiles
o1c(c(cc1c1ccc(cc1)N)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4095418
LogD (pH = 7.4)
2.4116116
Log P
2.411638
Molar Refractivity
70.2091
Polarizability
27.310976
Polar Surface Area
65.46
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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