(Z)-3-(4-chloro-2-nitroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
Molecular Formula : C15H10N2O3ClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(Z)-3-(4-chloro-2-nitroanilino)-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (Z)-3-(4-chloro-2-nitroanilino)-1-(4-fluorophenyl)prop-2-en-1-one |
MolecularFormula : C15H10N2O3ClF |
Smiles : [O-][N+](c(cc(cc1)Cl)c1N/C=C\C(c(cc1)ccc1F)=O)=O |
InChI : InChI=1S/C15H10ClFN2O3/c16-11-3-6-13(14(9-11)19(21)22)18-8-7-15(20)10-1-4-12(17)5-2-10/h1-9,18H |
InChIK : NQKFASDASXHEDD-UHFFFAOYSA-N |
TotalMolweight : 320.706 |
Molweight : 320.706 |
MonoisotopicMass : 320.036398 |
CLogP : 2.2597 |
CLogS : -5.296 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 234.17 |
Relative PSA : 0.23453 |
PolarSurfaceArea : 74.92 |
Druglikeness : -5.8318 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |