(E)-N-(4-chlorophenyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide
Molecular Formula : C19H13N4O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-N-(4-chlorophenyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide is a drug-like molecule.
MolName : (E)-N-(4-chlorophenyl)-3-[2-(3-nitrophenyl)pyrimidin-5-yl]prop-2-enamide |
MolecularFormula : C19H13N4O3Cl |
Smiles : [O-][N+](c1cccc(-c2ncc(/C=C/C(Nc(cc3)ccc3Cl)=O)cn2)c1)=O |
InChI : InChI=1S/C19H13ClN4O3/c20-15-5-7-16(8-6-15)23-18(25)9-4-13-11-21-19(22-12-13)14-2-1-3-17(10-14)24(26)27/h1-12H,(H,23,25) |
InChIK : JWEXWDXOCRXKAV-UHFFFAOYSA-N |
TotalMolweight : 380.79 |
Molweight : 380.79 |
MonoisotopicMass : 380.067618 |
CLogP : 2.9005 |
CLogS : -5.835 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 285.1 |
Relative PSA : 0.26959 |
PolarSurfaceArea : 100.7 |
Druglikeness : -5.4509 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Amides : 1 |
Aromatic Nitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |