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Chemical ID: 6891600

COc1ccc(cc1)c2c(c(=O)c3ccccc3o2)OC(=O)c4ccncc4

Chemical ID:

6891600

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)c2c(c(=O)c3ccccc3o2)OC(=O)c4ccncc4

InChi [?]:

InChI=1/C22H15NO5/c1-26-16-8-6-14(7-9-16)20-21(28-22(25)15-10-12-23-13-11-15)19(24)17-4-2-3-5-18(17)27-20/h2-13H,1H3

InChi Info:

AuxInfo=1/0/N:1,15,16,14,17,5,7,4,8,24,28,25,27,6,23,3,13,18,11,9,10,21,26,12,22,2,19,20/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCOCCCCCCCCCOCCCCCCOOCOCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s11;s13;d14;s15;d16;d13s17;s9s18;s10;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅NO₅
All Atoms:	43
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	9.64442
Area:	567.885
Solvation:	-4.5527
Coulombic:	-49.7198

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	373.358
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.12
LogP (Chemaxon):	3.28

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

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Chemical Mix	Source	External ID	Descriptor	Value