4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzamide
Molecular Formula : C18H11N5O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzamide is a drug-like molecule.
MolName : 4-[5-[(1Z)-3-amino-2,4,4-tricyanobuta-1,3-dienyl]furan-2-yl]benzamide |
MolecularFormula : C18H11N5O2 |
Smiles : NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2C(N)=O)o1)=C(C#N)C#N |
InChI : InChI=1S/C18H11N5O2/c19-8-13(17(22)14(9-20)10-21)7-15-5-6-16(25-15)11-1-3-12(4-2-11)18(23)24/h1-7H,22H2,(H2,23,24) |
InChIK : QIZYCKIYBNZTOH-UHFFFAOYSA-N |
TotalMolweight : 329.318 |
Molweight : 329.318 |
MonoisotopicMass : 329.091275 |
CLogP : 1.8181 |
CLogS : -5.084 |
H Acceptors : 7 |
H Donors : 2 |
TotalSurfaceArea : 270.26 |
Relative PSA : 0.36398 |
PolarSurfaceArea : 153.62 |
Druglikeness : -6.9335 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : twice activated DB; 1,1-dinitrile |
Shape Index : 0.6 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Symmetricatoms : 4 |
Amides : 1 |
BasicNitrogens : 1 |
StereoCon : |