[(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate
Molecular Formula : C11H8N3O3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(E)-[amino(1,2-oxazol-5-yl)methylidene]amino] 4-chlorobenzoate |
MolecularFormula : C11H8N3O3Cl |
Smiles : N/C(/c1ccno1)=N/OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C11H8ClN3O3/c12-8-3-1-7(2-4-8)11(16)18-15-10(13)9-5-6-14-17-9/h1-6H,(H2,13,15) |
InChIK : INUNELXUMOMTIP-UHFFFAOYSA-N |
TotalMolweight : 265.656 |
Molweight : 265.656 |
MonoisotopicMass : 265.025419 |
CLogP : 2.1424 |
CLogS : -3.393 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 196.13 |
Relative PSA : 0.38189 |
PolarSurfaceArea : 90.71 |
Druglikeness : -1.7989 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 18 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 1 |
StereoCon : |