4-bromo-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
Molecular Formula : C17H11N3OBrF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-bromo-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is a drug-like molecule.
MolName : 4-bromo-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide |
MolecularFormula : C17H11N3OBrF3 |
Smiles : O=C(c(cc1)ccc1Br)N/C=C/n1c(ccc(C(F)(F)F)c2)c2nc1 |
InChI : InChI=1S/C17H11BrF3N3O/c18-13-4-1-11(2-5-13)16(25)22-7-8-24-10-23-14-9-12(17(19,20)21)3-6-15(14)24/h1-10H,(H,22,25) |
InChIK : IIJZRFNKRPXRCG-UHFFFAOYSA-N |
TotalMolweight : 410.192 |
Molweight : 410.192 |
MonoisotopicMass : 409.003757 |
CLogP : 3.4931 |
CLogS : -4.824 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 259.38 |
Relative PSA : 0.16324 |
PolarSurfaceArea : 46.92 |
Druglikeness : -6.7558 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.64 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Amides : 1 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
StereoCon : |