[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-chlorobenzoate
Molecular Formula : C10H8N5O3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(Z)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino] 4-chlorobenzoate |
MolecularFormula : C10H8N5O3Cl |
Smiles : N/C(/c1nonc1N)=N\OC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C10H8ClN5O3/c11-6-3-1-5(2-4-6)10(17)18-15-8(12)7-9(13)16-19-14-7/h1-4H,(H2,12,15)(H2,13,16) |
InChIK : YALSIULNZSVFFZ-UHFFFAOYSA-N |
TotalMolweight : 281.659 |
Molweight : 281.659 |
MonoisotopicMass : 281.031567 |
CLogP : 1.9175 |
CLogS : -3.14 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 203.41 |
Relative PSA : 0.49722 |
PolarSurfaceArea : 129.62 |
Druglikeness : -2.4154 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
StereoCon : |