2-chloro-N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Molecular Formula : C20H18N3O5Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-chloro-N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.
MolName : 2-chloro-N-[(Z)-3-morpholin-4-yl-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
MolecularFormula : C20H18N3O5Cl |
Smiles : [O-][N+](c1cccc(/C=C(/C(N2CCOCC2)=O)\NC(c(cccc2)c2Cl)=O)c1)=O |
InChI : InChI=1S/C20H18ClN3O5/c21-17-7-2-1-6-16(17)19(25)22-18(20(26)23-8-10-29-11-9-23)13-14-4-3-5-15(12-14)24(27)28/h1-7,12-13H,8-11H2,(H,22,25) |
InChIK : GOGBLXLZNLTHLO-UHFFFAOYSA-N |
TotalMolweight : 415.832 |
Molweight : 415.832 |
MonoisotopicMass : 415.093499 |
CLogP : 2.635 |
CLogS : -4.267 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 305.62 |
Relative PSA : 0.2667 |
PolarSurfaceArea : 104.46 |
Druglikeness : -0.13815 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.44828 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 6 |
Symmetricatoms : 2 |
Amides : 2 |
AcidicOxygens : 1 |
StereoCon : |