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Chemical ID: 4505267
Chemical ID:
4505267
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)c2cc(n3c(=O)c4ccccc4nc3n2)c5ccccc5
InChi [?]:
InChI=1/C24H17N3O2/c1-29-18-13-11-16(12-14-18)21-15-22(17-7-3-2-4-8-17)27-23(28)19-9-5-6-10-20(19)25-24(27)26-21/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,28,17,18,25,29,16,19,5,7,4,8,10,6,24,3,15,20,9,11,13,22,21,23,12,14,2/E:(3,4)(7,8)(11,12)(13,14)/rA:29nCOCCCCCCCCCNCOCCCCCCNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s12d21;d9s22;s11;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7608 |
Area: | 569.952 |
Solvation: | -3.48803 |
Coulombic: | -38.8904 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 379.411 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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