2-[carbamoyl-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]amino]acetate
Formula:C10H9N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-[carbamoyl-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]amino]acetate is a drug-like molecule.
| MolName | 2-[carbamoyl-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]amino]acetate |
| MolecularFormula | C10H9N4O6 |
| Smiles | NC(N(CC([O-])=O)/N=C\C=C\c1ccc([N+]([O-])=O)o1)=O |
| InChI | InChI=1S/C10H10N4O6/c11-10(17)13(6-9(15)16)12-5-1-2-7-3-4-8(20-7)14(18)19/h1-5H,6H2,(H2,11,17)(H,15,16)/p-1 |
| InChIK | JBPMXAXHNIDOCA-UHFFFAOYSA-M |
| TotalMolweight | 281.203 |
| Molweight | 281.203 |
| MonoisotopicMass | 281.052211 |
| CLogP | -3.1369 |
| CLogS | -3.043 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 213.49 |
| Relative PSA | 0.5397 |
| PolarSurfaceArea | 157.78 |
| Druglikeness | -4.7768 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[carbamoyl-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]amino]acetate | 2 - 2-[carbamoyl-[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]amino]acetate
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