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Chemical ID: 7702886
Chemical ID:
7702886
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccc(cc2O)O
InChi [?]:
InChI=1/C19H21N3O5/c1-2-9-27-16-7-4-13(5-8-16)19(26)20-12-18(25)22-21-11-14-3-6-15(23)10-17(14)24/h3-8,10-11,23-24H,2,9,12H2,1H3,(H,20,26)(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,7,9,22,6,10,3,24,19,14,8,20,23,5,25,15,11,13,18,17,27,26,16,12,4/E:(4,5)(7,8)/rA:27nCCCOCCCCCCCONCCONNCCCCCCCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N3O5 |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.15981 |
Area: | 628.171 |
Solvation: | -7.54447 |
Coulombic: | -77.96 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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