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Chemical ID: 7147843
Chemical ID:
7147843
Name [?]:
None
SMILES [?]:
Cc1cc(ccc1c2ccc(o2)C=NNC(=O)c3cc4c5ccccc5ccc4o3)C(=O)O
InChi [?]:
InChI=1/C26H18N2O5/c1-15-12-17(26(30)31)6-9-19(15)22-11-8-18(32-22)14-27-28-25(29)24-13-21-20-5-3-2-4-16(20)7-10-23(21)33-24/h2-14H,1H3,(H,28,29)(H,30,31)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,5,27,10,6,28,9,3,19,13,2,26,4,11,7,21,20,8,29,18,16,31,14,15,17,32,33,12,30/E:(30,31)/rA:33nCCCCCCCCCCCOCNNCOCCCCCCCCCCCCOCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;w13;s14;s15;d16;s16;d18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;d20s28;s18s29;s4;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H18N2O5 |
All Atoms: | 51 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4957 |
Area: | 689.474 |
Solvation: | -5.7411 |
Coulombic: | -64.5437 |
Bond Count [?]
All: | 37 |
Single: | 23 |
Double: | 14 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 438.432 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.02 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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