What is the molecular formula of Vat Blue 14?
The molecular formula of Vat Blue 14 is C29H14ClNO4.
What is the molecular weight of Vat Blue 14?
The molecular weight of Vat Blue 14 is 475.9 g/mol.
When was Vat Blue 14 created?
Vat Blue 14 was created on October 5, 2015.
When was Vat Blue 14 last modified?
Vat Blue 14 was last modified on December 23, 2023.
What is the IUPAC name of Vat Blue 14?
The IUPAC name of Vat Blue 14 is 23-chloro-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3,5(14),7,9,11,16,18,20(29),22(27),23,25-dodecaene-6,13,21,28-tetrone.
What is the InChI of Vat Blue 14?
The InChI of Vat Blue 14 is InChI=1S/C29H14ClNO4/c30-22-7-3-6-17-25(22)29(35)19-10-14-8-13-9-18-20(11-23(13)31-24(14)12-21(19)28(17)34)27(33)16-5-2-1-4-15(16)26(18)32/h1-8,10-11H,9,12H2.
What is the InChIKey of Vat Blue 14?
The InChIKey of Vat Blue 14 is NHAKKGRAHSSERD-UHFFFAOYSA-N.
What is the canonical SMILES of Vat Blue 14?
The canonical SMILES of Vat Blue 14 is C1C2=CC3=CC4=C(CC3=NC2=CC5=C1C(=O)C6=CC=CC=C6C5=O)C(=O)C7=C(C4=O)C(=CC=C7)Cl.
What is the XLogP3-AA value of Vat Blue 14?
The XLogP3-AA value of Vat Blue 14 is 3.8.
What is the hydrogen bond donor count of Vat Blue 14?
The hydrogen bond donor count of Vat Blue 14 is 0.