CID 160536910

C15H16N3NaO6S — CID 160536910

IUPAC—
SMILESCN(C)/N=N/c1ccc(C(=O)c2cc[c-]c(O)c2)cc1.OOOOS.[Na+]
InChIInChI=1S/C15H14N3O2.Na.H2O4S/c1-18(2)17-16-13-8-6-11(7-9-13)15(20)12-4-3-5-14(19)10-12;;1-2-3-4-5/h3-4,6-10,19H,1-2H3;;1,5H/q-1;+1;/b17-16+;;
InChIKeyXQHWUXLDNNOTML-WXIBIURSSA-N
MW389.37 g/mol
LogP0.17
Rot. Bonds6

About CID 160536910

CID 160536910 (PubChem CID 160536910) has the molecular formula C15H16N3NaO6S and a molecular weight of 389.37 g/mol.

Molecular Properties

Compound NameCID 160536910
PubChem CID160536910
Molecular FormulaC15H16N3NaO6S
Molecular Weight389.37 g/mol
Exact Mass389.07
IUPAC Name—
SMILESCN(C)/N=N/c1ccc(C(=O)c2cc[c-]c(O)c2)cc1.OOOOS.[Na+]
InChIInChI=1S/C15H14N3O2.Na.H2O4S/c1-18(2)17-16-13-8-6-11(7-9-13)15(20)12-4-3-5-14(19)10-12;;1-2-3-4-5/h3-4,6-10,19H,1-2H3;;1,5H/q-1;+1;/b17-16+;;
InChIKeyXQHWUXLDNNOTML-WXIBIURSSA-N
XLogP0.17
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylaminodiazenyl)phenyl]-(3-hydroxyphenyl)methanone
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2-[3-[4-[4-(dimethylaminodiazenyl)benzoyl]phenoxy]-2-oxopropyl]butanedioic acid
CID 58071579
4-[(Z)-2-[4-(dimethylaminodiazenyl)phenyl]ethenyl]phenol
CID 174506798
ethyl 2-[4-[4-(dimethylaminodiazenyl)benzoyl]-2,6-dioxopiperazin-1-yl]acetate
CID 4085510
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzamide
CID 23274291
[4-(4-chloro-3-methylbenzoyl)phenyl]-(4-chloro-3-methylphenyl)methanone
CID 5143805
2-[4-[(E)-2-[4-(dimethylaminodiazenyl)phenyl]ethenyl]phenoxy]acetate
CID 58868741
N-[4-(dimethylaminodiazenyl)phenyl]sulfonylethanimidate
CID 3376884
4-[[4-[(4-carboxyphenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]benzoic acid
CID 177296906
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598

Frequently Asked Questions

What is the IUPAC name of CID 160536910?
The IUPAC name of CID 160536910 (CID 160536910) is not available.
What is the SMILES notation for CID 160536910?
The canonical SMILES for CID 160536910 is CN(C)/N=N/c1ccc(C(=O)c2cc[c-]c(O)c2)cc1.OOOOS.[Na+].
What is the InChIKey of CID 160536910?
The InChIKey is XQHWUXLDNNOTML-WXIBIURSSA-N. The full InChI is InChI=1S/C15H14N3O2.Na.H2O4S/c1-18(2)17-16-13-8-6-11(7-9-13)15(20)12-4-3-5-14(19)10-12;;1-2-3-4-5/h3-4,6-10,19H,1-2H3;;1,5H/q-1;+1;/b17-16+;;.
What are the key properties of CID 160536910?
CID 160536910 has a molecular weight of 389.37 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160536910 is sourced from PubChem (CID 160536910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).