N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
Formula:C18H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C18H15N5O4 |
| Smiles | [O-][N+](c1ccc(Cn(cc2)nc2C(N/N=C\c2cc(O)ccc2)=O)cc1)=O |
| InChI | InChI=1S/C18H15N5O4/c24-16-3-1-2-14(10-16)11-19-20-18(25)17-8-9-22(21-17)12-13-4-6-15(7-5-13)23(26)27/h1-11,24H,12H2,(H,20,25) |
| InChIK | DOLUIYNPNCMCMA-UHFFFAOYSA-N |
| TotalMolweight | 365.348 |
| Molweight | 365.348 |
| MonoisotopicMass | 365.112405 |
| CLogP | 1.4081 |
| CLogS | -3.466 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 278.49 |
| Relative PSA | 0.34964 |
| PolarSurfaceArea | 125.33 |
| Druglikeness | 2.0567 |
| Mutagenic | none |
| Tumorigenic | none |
| 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 | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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