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Chemical ID: 7047181

Chemical ID:

7047181

Name [?]:

7-methoxy-N-(3-methoxyphenyl)-2-oxo-chromene-3-carboxamide

SMILES [?]:

COc1cccc(c1)NC(=O)c2cc3ccc(cc3oc2=O)OC

InChi [?]:

InChI=1/C18H15NO5/c1-22-13-5-3-4-12(9-13)19-17(20)15-8-11-6-7-14(23-2)10-16(11)24-18(15)21/h3-10H,1-2H3,(H,19,20)

InChi Info:

AuxInfo=1/1/N:1,24,5,6,4,15,16,13,8,18,14,7,3,17,12,19,10,21,9,11,22,2,23,20/rA:24nCOCCCCCCNCOCCCCCCCCOCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s17;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₅NO₅
All Atoms:	39
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	6.17234
Area:	518.8
Solvation:	-6.79766
Coulombic:	-52.0643

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	325.315
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.49
LogP (Chemaxon):	2.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value