N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
Molecular Formula : C14H10N3O2Br | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide is a drug-like molecule.
MolName : N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide |
MolecularFormula : C14H10N3O2Br |
Smiles : N#CCC(N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O |
InChI : InChI=1S/C14H10BrN3O2/c15-11-3-1-10(2-4-11)13-6-5-12(20-13)9-17-18-14(19)7-8-16/h1-6,9H,7H2,(H,18,19) |
InChIK : AEAUIVUMQZTNOD-UHFFFAOYSA-N |
TotalMolweight : 332.156 |
Molweight : 332.156 |
MonoisotopicMass : 330.995638 |
CLogP : 3.1219 |
CLogS : -5.263 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 230.78 |
Relative PSA : 0.27593 |
PolarSurfaceArea : 78.39 |
Druglikeness : -2.5753 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.75 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
StereoCon : |