[(E)-[amino-(2,4-difluorophenyl)methylidene]amino] 4-chlorobenzoate
Molecular Formula : C14H9N2O2ClF2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[amino-(2,4-difluorophenyl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(E)-[amino-(2,4-difluorophenyl)methylidene]amino] 4-chlorobenzoate |
MolecularFormula : C14H9N2O2ClF2 |
Smiles : N/C(/c(ccc(F)c1)c1F)=N/OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C14H9ClF2N2O2/c15-9-3-1-8(2-4-9)14(20)21-19-13(18)11-6-5-10(16)7-12(11)17/h1-7H,(H2,18,19) |
InChIK : ZNLKZVKONORGFH-UHFFFAOYSA-N |
TotalMolweight : 310.686 |
Molweight : 310.686 |
MonoisotopicMass : 310.032061 |
CLogP : 3.8797 |
CLogS : -4.9 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 220.38 |
Relative PSA : 0.22606 |
PolarSurfaceArea : 64.68 |
Druglikeness : -4.0001 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
StereoCon : |