manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

C16H12MnN4O6+ — CID 6712093

IUPACmanganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N/CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1.[Mn+3]
InChIInChI=1S/C16H14N4O6.Mn/c21-15-3-1-13(19(23)24)7-11(15)9-17-5-6-18-10-12-8-14(20(25)26)2-4-16(12)22;/h1-4,7-10,21-22H,5-6H2;/q;+3/p-2/b17-9+,18-10+;
InChIKeyJSADYVQWXFMCSQ-MQMNHWTGSA-L
MW411.23 g/mol
LogP1.19
Rot. Bonds7

About manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate

manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (PubChem CID 6712093) has the molecular formula C16H12MnN4O6+ and a molecular weight of 411.23 g/mol. Its IUPAC name is manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.

Molecular Properties

Compound Namemanganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
PubChem CID6712093
Molecular FormulaC16H12MnN4O6+
Molecular Weight411.23 g/mol
Exact Mass411.01
IUPAC Namemanganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
SMILESO=[N+]([O-])c1ccc([O-])c(/C=N/CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1.[Mn+3]
InChIInChI=1S/C16H14N4O6.Mn/c21-15-3-1-13(19(23)24)7-11(15)9-17-5-6-18-10-12-8-14(20(25)26)2-4-16(12)22;/h1-4,7-10,21-22H,5-6H2;/q;+3/p-2/b17-9+,18-10+;
InChIKeyJSADYVQWXFMCSQ-MQMNHWTGSA-L
XLogP1.19
TPSA157.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.23
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

4-nitro-2-(prop-2-ynyliminomethyl)phenolate
CID 7608898
2-(benzyliminomethyl)-4-nitrophenolate
CID 2185214
chlorocopper(1+);2-[2-(2-hydroxyethylamino)ethyliminomethyl]-4-nitrophenolate
CID 46838697
bis(2-[2-(diethylazaniumyl)ethyliminomethyl]-4-nitrophenolate);nickel(2+);diisothiocyanate;dihydrate
CID 139069295
2-[2-(4-chlorophenyl)sulfanylethyliminomethyl]-4-nitrophenolate
CID 7666580
2-[(2-chlorophenyl)methyliminomethyl]-4-nitrophenolate
CID 7606291
2-[3-(N-ethylanilino)propyliminomethyl]-4-nitrophenolate
CID 7505762
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
2-[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol;manganese;hexafluorophosphate
CID 139264621
4-[(5-nitro-2-oxidophenyl)methylideneamino]benzoate
CID 6940189
2-[[(2S)-1-hydroxybutan-2-yl]iminomethyl]-4-nitrophenolate
CID 7300824
4-nitro-2-[[4-[4-[(5-nitro-2-oxidophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenolate
CID 7035544

Frequently Asked Questions

What is the IUPAC name of manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The IUPAC name of manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate (CID 6712093) is manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate.
What is the SMILES notation for manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The canonical SMILES for manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is O=[N+]([O-])c1ccc([O-])c(/C=N/CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1.[Mn+3].
What is the InChIKey of manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
The InChIKey is JSADYVQWXFMCSQ-MQMNHWTGSA-L. The full InChI is InChI=1S/C16H14N4O6.Mn/c21-15-3-1-13(19(23)24)7-11(15)9-17-5-6-18-10-12-8-14(20(25)26)2-4-16(12)22;/h1-4,7-10,21-22H,5-6H2;/q;+3/p-2/b17-9+,18-10+;.
What are the key properties of manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate?
manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate has a molecular weight of 411.23 g/mol, XLogP of 1.19, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(3+);4-nitro-2-[2-[(5-nitro-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate is sourced from PubChem (CID 6712093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).