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Chemical ID: 7080193
Chemical ID:
7080193
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1OCC)C2c3c(=O)c4ccccc4oc3C(=O)N2CCOC
InChi [?]:
InChI=1/C25H27NO6/c1-4-13-31-19-11-10-16(15-20(19)30-5-2)22-21-23(27)17-8-6-7-9-18(17)32-24(21)25(28)26(22)12-14-29-3/h6-11,15,22H,4-5,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,32,2,12,20,21,19,22,7,6,29,3,30,9,8,18,23,5,10,15,14,16,25,26,28,17,27,31,11,4,24/rA:32cCCCOCCCCCCOCCCCCOCCCCCCOCCONCCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO6 |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.66856 |
Area: | 675.385 |
Solvation: | -7.21608 |
Coulombic: | -57.651 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 437.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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