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Chemical ID: 6879656

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4ccncc4

Chemical ID:

6879656

Name [?]:

[2-(4-methoxyphenyl)-6-methyl-4-oxo-chromen-3-yl] pyridine-4-carboxylate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OC(=O)c4ccncc4

InChi [?]:

InChI=1/C23H17NO5/c1-14-3-8-19-18(13-14)20(25)22(29-23(26)16-9-11-24-12-10-16)21(28-19)15-4-6-17(27-2)7-5-15/h3-13H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,3,14,18,15,17,4,25,29,26,28,7,2,13,24,16,6,5,8,11,10,22,27,9,23,19,12,21/E:(4,5)(6,7)(9,10)(11,12)/rA:29nCCCCCCCCOCCOCCCCCCOCOCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₇NO₅
All Atoms:	46
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1807
Area:	589.597
Solvation:	-4.55922
Coulombic:	-49.5011

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	387.385
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.56
LogP (Chemaxon):	3.75

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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