Molecule

ID:82291

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₃
Molecular Mass
294.30466
Exact Mass
294.10044232
Charge
0
InChI
InChI=1S/C17H14N2O3/c18-10-14(8-13-6-7-15(20)16(21)9-13)17(22)19-11-12-4-2-1-3-5-12/h1-9,20-21H,11H2,(H,19,22)
InChIKey
TUCIOBMMDDOEMM-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C/c1ccc(c(c1)O)O)/C(=O)NCc1ccccc1
Isomeric Smiles
N(C(=O)/C(=C\c1cc(c(cc1)O)O)/C#N)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
8.352916
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.4814262
LogD (pH = 7.4)
2.436962
Log P
2.4820209
Molar Refractivity
83.4068
Polarizability
31.21717
Polar Surface Area
93.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation