Molecule

ID:40801

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₂
Molecular Mass
280.32114
Exact Mass
280.12117776
Charge
0
InChI
InChI=1S/C17H16N2O2/c1-2-21-17(20)15-14(10-19-16(15)18)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,19H,2,18H2,1H3
InChIKey
XECMUZLIYVINON-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)[nH]cc1c1ccc2c(c1)cccc2
Isomeric Smiles
c1(c(c[nH]c1N)c1cc2c(cc1)cccc2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.80192
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.9604797
LogD (pH = 7.4)
3.960482
Log P
3.9604821
Molar Refractivity
83.1308
Polarizability
33.975704
Polar Surface Area
68.11
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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