4-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzamide
Molecular Formula : C13H11N7O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |4-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzamide is a drug-like molecule.
MolName : 4-[5-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]furan-2-yl]benzamide |
MolecularFormula : C13H11N7O2 |
Smiles : NC(c(cc1)ccc1-c1ccc(/C=N\n2nnnc2N)o1)=O |
InChI : InChI=1S/C13H11N7O2/c14-12(21)9-3-1-8(2-4-9)11-6-5-10(22-11)7-16-20-13(15)17-18-19-20/h1-7H,(H2,14,21)(H2,15,17,19) |
InChIK : YUBZBVMDEUPWOU-UHFFFAOYSA-N |
TotalMolweight : 297.277 |
Molweight : 297.277 |
MonoisotopicMass : 297.097423 |
CLogP : 1.2527 |
CLogS : -5.336 |
H Acceptors : 9 |
H Donors : 2 |
TotalSurfaceArea : 227.5 |
Relative PSA : 0.47903 |
PolarSurfaceArea : 138.21 |
Druglikeness : 4.1635 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 4 |
StereoCon : |