Molecule

ID:54874

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClFNO₃
Molecular Mass
307.7041432
Exact Mass
307.04114912
Charge
0
InChI
InChI=1S/C15H11ClFNO3/c1-21-15(20)9-2-4-13(12(17)7-9)18-8-10-6-11(16)3-5-14(10)19/h2-8,19H,1H3/b18-8+
InChIKey
HWTSNMXWZKPMOA-QGMBQPNBSA-N
Canonic Smiles
COC(=O)c1ccc(c(c1)F)/N=C/c1cc(Cl)ccc1O
Isomeric Smiles
c1(/C=N/c2c(cc(C(=O)OC)cc2)F)c(ccc(c1)Cl)O
Calculated Properties
JChem
Acid pKa
8.290349
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.2934666
LogD (pH = 7.4)
4.2419534
Log P
4.294165
Molar Refractivity
80.415
Polarizability
29.092451
Polar Surface Area
58.89
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