Furazane-3-carbohydrazide, 4-amino-N2-(2-chlorobenzylideno)-
PubChem CID: 9579755
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| Compound Synonyms | UVOMLBOQNYUYTK-WLRTZDKTSA-N, AKOS024274611, SR-01000207624, SR-01000207624-1, Furazane-3-carbohydrazide, 4-amino-N2-(2-chlorobenzylideno)-, 4-Amino-N'-[(E)-(2-chlorophenyl)methylidene]-1,2,5-oxadiazole-3-carbohydrazide #, 4-AMINO-N'~3~-[(E)-1-(2-CHLOROPHENYL)METHYLIDENE]-1,2,5-OXADIAZOLE-3-CARBOHYDRAZIDE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 106.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC(CCCC1CCCCC1)C1CCCC1 |
| Deep Smiles | Clcccccc6/C=N/NC=O)cnonc5N |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(NNCC1CCCCC1)C1CNON1 |
| Classyfire Subclass | Halobenzenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-amino-N-[(E)-(2-chlorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H8ClN5O2 |
| Scaffold Graph Node Bond Level | O=C(NN=Cc1ccccc1)c1cnon1 |
| Inchi Key | UVOMLBOQNYUYTK-WLRTZDKTSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | furazane-3-carbohydrazide,4-amino-n2-(2-chlorobenzylideno) |
| Esol Class | Soluble |
| Functional Groups | c/C=N/NC(c)=O, c1cnon1, cCl, cN |
| Compound Name | Furazane-3-carbohydrazide, 4-amino-N2-(2-chlorobenzylideno)- |
| Exact Mass | 265.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.037 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 265.65 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H8ClN5O2/c11-7-4-2-1-3-6(7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17)/b13-5+ |
| Smiles | C1=CC=C(C(=C1)/C=N/NC(=O)C2=NON=C2N)Cl |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1388751