[(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] benzoate
Molecular Formula : C16H14N2O3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] benzoate is a drug-like molecule.
MolName : [(E)-[amino(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino] benzoate |
MolecularFormula : C16H14N2O3 |
Smiles : N/C(/c(cc1)cc2c1OCC2)=N/OC(c1ccccc1)=O |
InChI : InChI=1S/C16H14N2O3/c17-15(13-6-7-14-12(10-13)8-9-20-14)18-21-16(19)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,17,18) |
InChIK : LIGNKJYJIXZPGV-UHFFFAOYSA-N |
TotalMolweight : 282.298 |
Molweight : 282.298 |
MonoisotopicMass : 282.100443 |
CLogP : 3.2979 |
CLogS : -3.903 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 216.28 |
Relative PSA : 0.27659 |
PolarSurfaceArea : 73.91 |
Druglikeness : -3.0903 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61905 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
StereoCon : |