[(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate
Molecular Formula : C15H11N4O4Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(E)-[1-amino-2-(2,1,3-benzoxadiazol-5-yloxy)ethylidene]amino] 4-chlorobenzoate |
MolecularFormula : C15H11N4O4Cl |
Smiles : N/C(/COc1cc2nonc2cc1)=N/OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C15H11ClN4O4/c16-10-3-1-9(2-4-10)15(21)23-20-14(17)8-22-11-5-6-12-13(7-11)19-24-18-12/h1-7H,8H2,(H2,17,20) |
InChIK : MXNUBULPLCVOOC-UHFFFAOYSA-N |
TotalMolweight : 346.729 |
Molweight : 346.729 |
MonoisotopicMass : 346.046883 |
CLogP : 3.2037 |
CLogS : -3.691 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 253.25 |
Relative PSA : 0.37856 |
PolarSurfaceArea : 112.83 |
Druglikeness : -1.6674 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
StereoCon : |