[(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] 4-chlorobenzoate
Molecular Formula : C16H12NO3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |[(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] 4-chlorobenzoate is a drug-like molecule.
MolName : [(Z)-2,3-dihydro-1-benzofuran-5-ylmethylideneamino] 4-chlorobenzoate |
MolecularFormula : C16H12NO3Cl |
Smiles : O=C(c(cc1)ccc1Cl)O/N=C\c(cc1)cc2c1OCC2 |
InChI : InChI=1S/C16H12ClNO3/c17-14-4-2-12(3-5-14)16(19)21-18-10-11-1-6-15-13(9-11)7-8-20-15/h1-6,9-10H,7-8H2 |
InChIK : HTUMPRHJOVVTOI-UHFFFAOYSA-N |
TotalMolweight : 301.728 |
Molweight : 301.728 |
MonoisotopicMass : 301.050571 |
CLogP : 4.7499 |
CLogS : -4.874 |
H Acceptors : 4 |
TotalSurfaceArea : 224.97 |
Relative PSA : 0.19803 |
PolarSurfaceArea : 47.89 |
Druglikeness : -3.6669 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.66667 |
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 : |