Molecule

ID:27160

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c16-17-15(18)14-7-6-13(20-14)9-19-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9,16H2,(H,17,18)
InChIKey
ZJKZHHPRIDEAQW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)COc1ccc2c(c1)CCC2
Isomeric Smiles
c1(C(=O)NN)oc(cc1)COc1cc2c(cc1)CCC2
Calculated Properties
JChem
Acid pKa
11.896413
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.081664
LogD (pH = 7.4)
2.0821273
Log P
2.0821457
Molar Refractivity
75.8459
Polarizability
28.22293
Polar Surface Area
77.49
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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