N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]amino]aniline
Molecular Formula : C23H18N2O3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]amino]aniline is not a drug-like molecule.
MolName : N-[(E)-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)chromen-4-ylidene]amino]aniline |
MolecularFormula : C23H18N2O3 |
Smiles : C1Oc(ccc(C(Oc2c3cccc2)=C/C3=N\Nc2ccccc2)c2)c2OC1 |
InChI : InChI=1S/C23H18N2O3/c1-2-6-17(7-3-1)24-25-19-15-22(28-20-9-5-4-8-18(19)20)16-10-11-21-23(14-16)27-13-12-26-21/h1-11,14-15,24H,12-13H2 |
InChIK : QZLHYCOLMYADHU-UHFFFAOYSA-N |
TotalMolweight : 370.407 |
Molweight : 370.407 |
MonoisotopicMass : 370.131743 |
CLogP : 6.5996 |
CLogS : -5.135 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 282.44 |
Relative PSA : 0.18754 |
PolarSurfaceArea : 52.08 |
Druglikeness : -5.7003 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53571 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
StereoCon : |