Molecule

ID:14370

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₃
Molecular Mass
267.27932
Exact Mass
267.08954328
Charge
0
InChI
InChI=1S/C16H13NO3/c1-19-15-9-11(17)6-7-12(15)13-8-10-4-2-3-5-14(10)20-16(13)18/h2-9H,17H2,1H3
InChIKey
ZNTKIICGKNNUHH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(N)ccc1c1cc2ccccc2oc1=O
Isomeric Smiles
c1(c2cc3c(oc2=O)cccc3)c(cc(cc1)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4636824
LogD (pH = 7.4)
2.4648354
Log P
2.4648502
Molar Refractivity
77.1643
Polarizability
29.012913
Polar Surface Area
61.55
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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