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Chemical ID: 5812888
Chemical ID:
5812888
Name [?]:
None
SMILES [?]:
CC(=O)Nc1ccc(cc1)Nc2c-3c4c(cccc4n(c2=O)C)C(=O)c5c3cccc5
InChi [?]:
InChI=1/C25H19N3O3/c1-14(29)26-15-10-12-16(13-11-15)27-23-22-17-6-3-4-7-18(17)24(30)19-8-5-9-20(21(19)22)28(2)25(23)31/h3-13,27H,1-2H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,23,29,30,17,28,31,16,18,6,10,7,9,2,5,8,27,26,15,19,14,13,12,24,21,4,11,20,3,25,22/E:(10,11)(12,13)/rA:31nCCONCCCCCCNCCCCCCCCNCOCCOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;s19;s12s20;d21;s20;s15;d24;s24;s13s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19N3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4114 |
Area: | 588.351 |
Solvation: | -4.29737 |
Coulombic: | -57.3677 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 409.437 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.62 |
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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