[(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 4-chlorobenzoate
Molecular Formula : C14H9N4O3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 4-chlorobenzoate |
MolecularFormula : C14H9N4O3Cl |
Smiles : N/C(/c1cc2nonc2cc1)=N/OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C14H9ClN4O3/c15-10-4-1-8(2-5-10)14(20)21-19-13(16)9-3-6-11-12(7-9)18-22-17-11/h1-7H,(H2,16,19) |
InChIK : UGWZCRYSUHLGEU-UHFFFAOYSA-N |
TotalMolweight : 316.703 |
Molweight : 316.703 |
MonoisotopicMass : 316.036318 |
CLogP : 3.6288 |
CLogS : -3.911 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 229.49 |
Relative PSA : 0.37418 |
PolarSurfaceArea : 103.6 |
Druglikeness : -1.5588 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
StereoCon : |