[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-iodobenzoate
Molecular Formula : C13H10N3O2I | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-iodobenzoate is a drug-like molecule.
MolName : [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-iodobenzoate |
MolecularFormula : C13H10N3O2I |
Smiles : N/C(/c1ccncc1)=N/OC(c(cc1)ccc1I)=O |
InChI : InChI=1S/C13H10IN3O2/c14-11-3-1-10(2-4-11)13(18)19-17-12(15)9-5-7-16-8-6-9/h1-8H,(H2,15,17) |
InChIK : TVHGNQRFXITFPC-UHFFFAOYSA-N |
TotalMolweight : 367.141 |
Molweight : 367.141 |
MonoisotopicMass : 366.981775 |
CLogP : 2.5083 |
CLogS : -3.757 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 217.3 |
Relative PSA : 0.27975 |
PolarSurfaceArea : 77.57 |
Druglikeness : -2.134 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.68421 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |