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Chemical ID: 4801500
Chemical ID:
4801500
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)C
InChi [?]:
InChI=1/C26H23NO5/c1-3-11-30-18-7-4-6-17(14-18)23-22-24(28)20-13-16(2)9-10-21(20)32-25(22)26(29)27(23)15-19-8-5-12-31-19/h4-10,12-14,23H,3,11,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,7,29,8,6,28,18,19,3,30,16,10,26,17,9,5,27,15,20,12,11,13,22,23,25,14,24,4,31,21/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;s28;d29;s27s30;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23NO5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4982 |
Area: | 656.882 |
Solvation: | -5.92381 |
Coulombic: | -49.1049 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 429.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.96 |
LogP (Chemaxon): | 4.41 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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