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Chemical ID: 6856427

Cc1ccc2c(c1)oc(c(c2=O)OCc3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)OC

Chemical ID:

6856427

Name [?]:

2-(4-methoxyphenyl)-7-methyl-3-[(4-nitrophenyl)methoxy]chromen-4-one

SMILES [?]:

Cc1ccc2c(c1)oc(c(c2=O)OCc3ccc(cc3)[N+](=O)[O-])c4ccc(cc4)OC

InChi [?]:

InChI=1/C24H19NO6/c1-15-3-12-20-21(13-15)31-23(17-6-10-19(29-2)11-7-17)24(22(20)26)30-14-16-4-8-18(9-5-16)25(27)28/h3-13H,14H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,3,16,20,25,29,17,19,26,28,4,7,14,2,15,24,18,27,5,6,11,9,10,21,12,22,23,30,13,8/E:(4,5)(6,7)(8,9)(10,11)(27,28)/CRV:25.5/rA:31nCCCCCCCOCCCOOCCCCCCCN+OO-CCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s5s10;d11;s10;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s9;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉NO₆
All Atoms:	50
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	5.89788
Area:	625.744
Solvation:	-9.74571
Coulombic:	-46.7952

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	417.411
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.7
LogP (Chemaxon):	5.31

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value