(3Z)-5-(4-bromophenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
Molecular Formula : C16H10NO2Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3Z)-5-(4-bromophenyl)-3-(pyridin-4-ylmethylidene)furan-2-one is a drug-like molecule.
MolName : (3Z)-5-(4-bromophenyl)-3-(pyridin-4-ylmethylidene)furan-2-one |
MolecularFormula : C16H10NO2Br |
Smiles : O=C1OC(c(cc2)ccc2Br)=C/C1=C/c1ccncc1 |
InChI : InChI=1S/C16H10BrNO2/c17-14-3-1-12(2-4-14)15-10-13(16(19)20-15)9-11-5-7-18-8-6-11/h1-10H |
InChIK : HHFNRSSLJAWRIT-UHFFFAOYSA-N |
TotalMolweight : 328.164 |
Molweight : 328.164 |
MonoisotopicMass : 326.98949 |
CLogP : 3.1475 |
CLogS : -3.716 |
H Acceptors : 3 |
TotalSurfaceArea : 214.08 |
Relative PSA : 0.15887 |
PolarSurfaceArea : 39.19 |
Druglikeness : -1.7453 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.65 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 2 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |