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Chemical ID: 5689933
Chemical ID:
5689933
Name [?]:
(1,3-dioxoisoindolin-2-yl)methyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1)C=CC(=O)OCN2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C19H15NO5/c1-24-14-9-6-13(7-10-14)8-11-17(21)25-12-20-18(22)15-4-2-3-5-16(15)19(20)23/h2-11H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,5,7,9,4,8,10,14,6,3,18,23,11,16,24,15,12,17,25,2,13/E:(2,3)(4,5)(6,7)(9,10)(15,16)(18,19)(22,23)/rA:25nCOCCCCCCCCCOOCNCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s15s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO5 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.87721 |
Area: | 519.228 |
Solvation: | -5.10348 |
Coulombic: | -52.893 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.326 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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