N-[(1Z)-2-morpholin-4-yl-1-(2-nitrofluoren-9-ylidene)-2-oxoethyl]benzamide
Molecular Formula : C26H21N3O5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |N-[(1Z)-2-morpholin-4-yl-1-(2-nitrofluoren-9-ylidene)-2-oxoethyl]benzamide is a drug-like molecule.
MolName : N-[(1Z)-2-morpholin-4-yl-1-(2-nitrofluoren-9-ylidene)-2-oxoethyl]benzamide |
MolecularFormula : C26H21N3O5 |
Smiles : [O-][N+](c(cc1)cc2c1-c(cccc1)c1/C2=C(\C(N1CCOCC1)=O)/NC(c1ccccc1)=O)=O |
InChI : InChI=1S/C26H21N3O5/c30-25(17-6-2-1-3-7-17)27-24(26(31)28-12-14-34-15-13-28)23-21-9-5-4-8-19(21)20-11-10-18(29(32)33)16-22(20)23/h1-11,16H,12-15H2,(H,27,30) |
InChIK : SCORGHNOVCHJDB-UHFFFAOYSA-N |
TotalMolweight : 455.469 |
Molweight : 455.469 |
MonoisotopicMass : 455.148122 |
CLogP : 3.4633 |
CLogS : -5.736 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 334.67 |
Relative PSA : 0.24355 |
PolarSurfaceArea : 104.46 |
Druglikeness : -0.195 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.38235 |
Fragments : 1 |
Non HAtoms : 34 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 6 |
Symmetricatoms : 4 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |