N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide
Formula:C22H15N5O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C22H15N5O4Cl2 |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\NC(c3nn(Cc(cc4)ccc4Cl)cc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C22H15Cl2N5O4/c23-15-3-1-14(2-4-15)13-28-10-9-20(27-28)22(30)26-25-12-17-6-8-21(33-17)18-11-16(29(31)32)5-7-19(18)24/h1-12H,13H2,(H,26,30) |
| InChIK | FOCICWWQPZEDPJ-UHFFFAOYSA-N |
| TotalMolweight | 484.298 |
| Molweight | 484.298 |
| MonoisotopicMass | 483.050109 |
| CLogP | 3.9047 |
| CLogS | -6.694 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 352.43 |
| Relative PSA | 0.27915 |
| PolarSurfaceArea | 118.24 |
| Druglikeness | 3.8674 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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