Chemical ID: 6909205

Cc1ccc2c(c1)c(=NCCC(=O)[O-])cc(o2)c3ccc(c(c3)OC)OC
Chemical ID:
6909205
Name [?]:
3-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]aminopropanoate
SMILES [?]:
Cc1ccc2c(c1)c(=NCCC(=O)[O-])cc(o2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H21NO5/c1-13-4-6-17-15(10-13)16(22-9-8-21(23)24)12-19(27-17)14-5-7-18(25-2)20(11-14)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)/p-1
InChi Info:
AuxInfo=1/1/N:1,27,25,3,19,4,20,11,10,7,23,15,2,18,6,8,5,21,16,22,12,9,13,14,26,24,17/E:(23,24)/rA:27nCCCCCCCCNCCCOO-CCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;s11;d12;s12;s8;d15;s5s16;s16;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20NO5-
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-30.7861
Area:593.637
Solvation:-45.627
Coulombic:-28.9554
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:366.387
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.9
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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