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Chemical ID: 7620892
Chemical ID:
7620892
Name [?]:
None
SMILES [?]:
CCC1(c2cc-3n(c(=O)c2COC1=O)Cc4c3[nH]c-5cccc(=O)c5c4)O
InChi [?]:
InChI=1/C20H16N2O5/c1-2-20(26)13-7-15-17-10(6-11-14(21-17)4-3-5-16(11)23)8-22(15)18(24)12(13)9-27-19(20)25/h3-7,21,26H,2,8-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,26,5,15,11,16,25,10,4,19,6,23,17,8,13,3,18,7,24,9,14,27,12/rA:27cCCCCCCNCOCCOCOCCCNCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;s7;d8;d4s8;s10;s11;s3s12;d13;s7;s15;s6d16;s17;s18;d19;s20;d21;s22;d23;s19s23;s16d25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O5 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.38495 |
Area: | 524.329 |
Solvation: | -4.72327 |
Coulombic: | -72.3788 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.01 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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