Molecule

ID:14398

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₃
Molecular Mass
270.28326
Exact Mass
270.10044232
Charge
0
InChI
InChI=1S/C15H14N2O3/c1-18-13-5-3-9(7-14(13)19-2)15-17-11-8-10(16)4-6-12(11)20-15/h3-8H,16H2,1-2H3
InChIKey
WXHYQSJGVYVZKK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1nc2c(o1)ccc(c2)N
Isomeric Smiles
c1(c2cc(c(cc2)OC)OC)nc2c(o1)ccc(c2)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.1996412
LogD (pH = 7.4)
2.200358
Log P
2.2003672
Molar Refractivity
85.4515
Polarizability
30.273746
Polar Surface Area
70.51
Rotatable Bonds
3
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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