4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol

C14H10N4O6 — CID 135618948

IUPAC4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(/C=N\N=C\c2cc([N+](=O)[O-])c(O)cc2O)cc1
InChIInChI=1S/C14H10N4O6/c19-13-6-14(20)12(18(23)24)5-10(13)8-16-15-7-9-1-3-11(4-2-9)17(21)22/h1-8,19-20H/b15-7-,16-8+
InChIKeyLWGFNUOLGFNTTP-BSHIDLADSA-N
MW330.26 g/mol
LogP2.37
Rot. Bonds5

About 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol

4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135618948) has the molecular formula C14H10N4O6 and a molecular weight of 330.26 g/mol. Its IUPAC name is 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135618948
Molecular FormulaC14H10N4O6
Molecular Weight330.26 g/mol
Exact Mass330.06
IUPAC Name4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol
SMILESO=[N+]([O-])c1ccc(/C=N\N=C\c2cc([N+](=O)[O-])c(O)cc2O)cc1
InChIInChI=1S/C14H10N4O6/c19-13-6-14(20)12(18(23)24)5-10(13)8-16-15-7-9-1-3-11(4-2-9)17(21)22/h1-8,19-20H/b15-7-,16-8+
InChIKeyLWGFNUOLGFNTTP-BSHIDLADSA-N
XLogP2.37
TPSA151.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
4-[(E)-[(E)-(4-amino-3-nitrophenyl)methylidenehydrazinylidene]methyl]-2-nitroaniline
CID 139175508
2-[2-hydroxy-5-[(4-nitrophenyl)methylideneamino]phenyl]-4-[(4-nitrophenyl)methylideneamino]phenol
CID 71362397
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 136786960
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
N'-[(4-nitrophenyl)methylideneamino]benzenecarboximidamide
CID 70171064
azane;2,4-dinitrophenol;hydrate
CID 174664401
N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789425
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
2-[(4-methylphenyl)methylideneamino]-4-nitrophenol
CID 690997
2-[(Z)-[(E)-(5-chloro-2-nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 136732744

Frequently Asked Questions

What is the IUPAC name of 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol (CID 135618948) is 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol is O=[N+]([O-])c1ccc(/C=N\N=C\c2cc([N+](=O)[O-])c(O)cc2O)cc1.
What is the InChIKey of 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is LWGFNUOLGFNTTP-BSHIDLADSA-N. The full InChI is InChI=1S/C14H10N4O6/c19-13-6-14(20)12(18(23)24)5-10(13)8-16-15-7-9-1-3-11(4-2-9)17(21)22/h1-8,19-20H/b15-7-,16-8+.
What are the key properties of 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol?
4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 330.26 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-6-[(E)-[(Z)-(4-nitrophenyl)methylidenehydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135618948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).