Molecule

ID:94265

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClFN₂O
Molecular Mass
288.7041032
Exact Mass
288.04656885
Charge
0
InChI
InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
InChIKey
UVCOILFBWYKHHB-UHFFFAOYSA-N
Canonic Smiles
O=C1CN=C(c2c(N1)ccc(c2)Cl)c1ccccc1F
Isomeric Smiles
N1c2c(cc(cc2)Cl)C(=NCC1=O)c1c(cccc1)F
Calculated Properties
JChem
Acid pKa
12.288032
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3546355
LogD (pH = 7.4)
3.354716
Log P
3.3547225
Molar Refractivity
76.9124
Polarizability
28.176514
Polar Surface Area
41.46
Rotatable Bonds
1
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