Chemical ID: 5657760

Cc1ccc2c(cc(=O)oc2c1C)COC(=O)c3ccc(cc3)C#N
Chemical ID:
5657760
Name [?]:
(7,8-dimethyl-2-oxo-chromen-4-yl)methyl 4-cyanobenzoate
SMILES [?]:
Cc1ccc2c(cc(=O)oc2c1C)COC(=O)c3ccc(cc3)C#N
InChi [?]:
InChI=1/C20H15NO4/c1-12-3-8-17-16(9-18(22)25-19(17)13(12)2)11-24-20(23)15-6-4-14(10-21)5-7-15/h3-9H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,20,22,19,23,4,7,24,14,2,12,21,18,6,5,8,11,16,25,9,17,15,10/E:(4,5)(6,7)/rA:25nCCCCCCCCOOCCCCOCOCCCCCCCN/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5496
Area:556.102
Solvation:-3.35292
Coulombic:-43.1318
Bond Count [?]
All:27
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:333.337
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.72
LogP (Chemaxon):4.19

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Descriptor Annotations

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