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Chemical ID: 5777761
Chemical ID:
5777761
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(n(c2c1cc(c3c2cccc3)O)Cc4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C25H25NO5/c1-5-31-25(28)23-15(2)26(14-16-10-11-21(29-3)22(12-16)30-4)24-18-9-7-6-8-17(18)20(27)13-19(23)24/h6-13,27H,5,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,28,2,17,16,18,15,22,23,26,11,20,7,21,13,14,10,12,24,25,6,9,4,8,19,5,29,27,3/rA:31nCCOCOCCNCCCCCCCCCCOCCCCCCCOCOCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s12;s8;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25NO5 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.86237 |
Area: | 618.312 |
Solvation: | -6.59542 |
Coulombic: | -56.6193 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 419.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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