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Chemical ID: 7080466
Chemical ID:
7080466
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C25H27NO5/c1-3-4-16-30-18-12-10-17(11-13-18)22-21-23(27)19-8-5-6-9-20(19)31-24(21)25(28)26(22)14-7-15-29-2/h5-6,8-13,22H,3-4,7,14-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,3,18,19,28,17,20,8,10,7,11,27,29,4,9,6,16,21,13,12,14,23,24,26,15,25,30,5,22/E:(10,11)(12,13)/rA:31cCCCCOCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO5 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0681 |
Area: | 675.019 |
Solvation: | -5.80736 |
Coulombic: | -51.1347 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.486 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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