Chemical ID: 7047168

COc1ccc2cc(c(=O)oc2c1)C(=O)Oc3cccc4c3cccc4
Chemical ID:
7047168
Name [?]:
1-naphthyl 7-methoxy-2-oxo-chromene-3-carboxylate
SMILES [?]:
COc1ccc2cc(c(=O)oc2c1)C(=O)Oc3cccc4c3cccc4
InChi [?]:
InChI=1/C21H14O5/c1-24-15-10-9-14-11-17(21(23)26-19(14)12-15)20(22)25-18-8-4-6-13-5-2-3-7-16(13)18/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,19,26,20,23,18,5,4,7,13,21,6,3,22,8,17,12,14,9,15,10,2,16,11/rA:26nCOCCCCCCCOOCCCOOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;s9;d6s11;d3s12;s8;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14O5
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.10647
Area:537.745
Solvation:-4.33716
Coulombic:-46.6539
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.333
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.37
LogP (Chemaxon):4.09

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Descriptor Annotations

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