2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline
Molecular Formula : C23H20N4O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline is a drug-like molecule.
MolName : 2,4-dinitro-N-[(E)-[phenyl-(3-phenyloxolan-2-yl)methylidene]amino]aniline |
MolecularFormula : C23H20N4O5 |
Smiles : [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C1OCCC1c1ccccc1)\c1ccccc1)=O |
InChI : InChI=1S/C23H20N4O5/c28-26(29)18-11-12-20(21(15-18)27(30)31)24-25-22(17-9-5-2-6-10-17)23-19(13-14-32-23)16-7-3-1-4-8-16/h1-12,15,19,23-24H,13-14H2 |
InChIK : TXFPDUJCJGTQSA-UHFFFAOYSA-N |
TotalMolweight : 432.435 |
Molweight : 432.435 |
MonoisotopicMass : 432.143371 |
CLogP : 4.5735 |
CLogS : -6.047 |
H Acceptors : 9 |
H Donors : 1 |
TotalSurfaceArea : 323.57 |
Relative PSA : 0.28992 |
PolarSurfaceArea : 125.26 |
Druglikeness : -3.8755 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.46875 |
Fragments : 1 |
Non HAtoms : 32 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
StereoCenters : 2 |
Rotatable Bond : 7 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
AcidicOxygens : 2 |
StereoCon : unknown chirality |