benzylidenehydrazine;oxalic acid

C16H18N4O4 — CID 162079614

IUPACbenzylidenehydrazine;oxalic acid
SMILESNN=Cc1ccccc1.NN=Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/2C7H8N2.C2H2O4/c2*8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h2*1-6H,8H2;(H,3,4)(H,5,6)
InChIKeyZCDXHIIVNIUVKG-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.11
Rot. Bonds2

About benzylidenehydrazine;oxalic acid

benzylidenehydrazine;oxalic acid (PubChem CID 162079614) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is benzylidenehydrazine;oxalic acid.

Molecular Properties

Compound Namebenzylidenehydrazine;oxalic acid
PubChem CID162079614
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namebenzylidenehydrazine;oxalic acid
SMILESNN=Cc1ccccc1.NN=Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/2C7H8N2.C2H2O4/c2*8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h2*1-6H,8H2;(H,3,4)(H,5,6)
InChIKeyZCDXHIIVNIUVKG-UHFFFAOYSA-N
XLogP1.11
TPSA151.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzylidenehydrazine;oxalic acid 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)-benzylideneamino]urea
CID 6861419
2-[2-(3-methanehydrazonoylphenyl)phenyl]acetamide
CID 142078583
4-methanehydrazonoylbenzenesulfonic acid
CID 168530932
(4-methanehydrazonoylphenyl) 2-chlorobenzoate
CID 168530478
3-(3-methanehydrazonoylphenyl)phenol
CID 168529657
2,4-diamino-1,5-diphenylpenta-1,4-dien-3-one
CID 66616036
2-hydroxy-5-methanehydrazonoylbenzoic acid
CID 168528918
2-(benzylideneamino)benzamide
CID 794805
N-(benzylideneamino)oxybenzamide
CID 54442905
N-benzylidenehydroxylamine;ethane
CID 90698406
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
(E)-(4-bromophenyl)methylidenehydrazine
CID 5325577

Frequently Asked Questions

What is the IUPAC name of benzylidenehydrazine;oxalic acid?
The IUPAC name of benzylidenehydrazine;oxalic acid (CID 162079614) is benzylidenehydrazine;oxalic acid.
What is the SMILES notation for benzylidenehydrazine;oxalic acid?
The canonical SMILES for benzylidenehydrazine;oxalic acid is NN=Cc1ccccc1.NN=Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of benzylidenehydrazine;oxalic acid?
The InChIKey is ZCDXHIIVNIUVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8N2.C2H2O4/c2*8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h2*1-6H,8H2;(H,3,4)(H,5,6).
What are the key properties of benzylidenehydrazine;oxalic acid?
benzylidenehydrazine;oxalic acid has a molecular weight of 330.34 g/mol, XLogP of 1.11, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidenehydrazine;oxalic acid is sourced from PubChem (CID 162079614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).