Molecule

ID:41210

General Information
Structure
Molecular Formula
C₁₄H₁₃NO₃
Molecular Mass
243.25792
Exact Mass
243.08954328
Charge
0
InChI
InChI=1S/C14H13NO3/c1-17-14(16)12-4-2-3-5-13(12)18-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3
InChIKey
FXHKMQZPYDWTCS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1Oc1ccc(cc1)N
Isomeric Smiles
c1(C(=O)OC)c(Oc2ccc(N)cc2)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6303537
LogD (pH = 7.4)
2.6478562
Log P
2.648084
Molar Refractivity
69.0245
Polarizability
26.21419
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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