N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide
Molecular Formula : C12H7N3OClF3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide is a drug-like molecule.
MolName : N-[(Z)-(2-chloro-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)benzamide |
MolecularFormula : C12H7N3OClF3S |
Smiles : O=C(c1ccc(C(F)(F)F)cc1)N/N=C\c(s1)cnc1Cl |
InChI : InChI=1S/C12H7ClF3N3OS/c13-11-17-5-9(21-11)6-18-19-10(20)7-1-3-8(4-2-7)12(14,15)16/h1-6H,(H,19,20) |
InChIK : UKBIEAYOHBRUDB-UHFFFAOYSA-N |
TotalMolweight : 333.721 |
Molweight : 333.721 |
MonoisotopicMass : 332.995043 |
CLogP : 4.0629 |
CLogS : -4.947 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 226.57 |
Relative PSA : 0.29721 |
PolarSurfaceArea : 82.59 |
Druglikeness : -1.7663 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |