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Chemical ID: 7080512
Chemical ID:
7080512
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCCOC)C
InChi [?]:
InChI=1/C25H27NO6/c1-5-31-19-10-8-16(14-20(19)30-4)22-21-23(27)17-13-15(2)7-9-18(17)32-24(21)25(28)26(22)11-6-12-29-3/h7-10,13-14,22H,5-6,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,31,11,2,28,19,6,20,5,27,29,17,8,18,7,16,21,4,9,13,12,14,23,24,26,15,25,30,10,3,22/rA:32cCCOCCCCCCOCCCCOCCCCCCOCCONCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;s28;s29;s30;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO6 |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.03594 |
Area: | 681.602 |
Solvation: | -8.00413 |
Coulombic: | -56.1453 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 437.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.01 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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