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Chemical ID: 6762779
Chemical ID:
6762779
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C25H17NO6/c27-16-5-3-4-15(11-16)22-21-23(28)17-6-1-2-7-18(17)32-24(21)25(29)26(22)12-14-8-9-19-20(10-14)31-13-30-19/h1-11,22,27H,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,6,3,25,26,29,21,23,31,24,16,20,5,4,27,28,9,15,7,10,12,14,22,8,13,32,30,11/rA:32cCCCCCCCOCCOCONCCCCCCCOCCCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s14;s23;s24;d25;s26;d27;d24s28;s28;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H17NO6 |
All Atoms: | 49 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.86609 |
Area: | 574.441 |
Solvation: | -5.49494 |
Coulombic: | -68.1814 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 427.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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