N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide
Molecular Formula : C18H11N3O4Cl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
MolName : N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-4-nitrobenzamide |
MolecularFormula : C18H11N3O4Cl2 |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1)=O)=O |
InChI : InChI=1S/C18H11Cl2N3O4/c19-12-3-7-15(16(20)9-12)17-8-6-14(27-17)10-21-22-18(24)11-1-4-13(5-2-11)23(25)26/h1-10H,(H,22,24) |
InChIK : GZIJELKVUAOYBP-UHFFFAOYSA-N |
TotalMolweight : 404.208 |
Molweight : 404.208 |
MonoisotopicMass : 403.012661 |
CLogP : 4.4309 |
CLogS : -7.113 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 290.95 |
Relative PSA : 0.27682 |
PolarSurfaceArea : 100.42 |
Druglikeness : 1.4137 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |