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Chemical ID: 7705958
Chemical ID:
7705958
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)C=NNC(=O)C(C)Oc3ccc4ccccc4c3
InChi [?]:
InChI=1/C31H30N2O6/c1-4-36-26-14-12-24(13-15-26)31(35)39-28-17-10-22(18-29(28)37-5-2)20-32-33-30(34)21(3)38-27-16-11-23-8-6-7-9-25(23)19-27/h6-21H,4-5H2,1-3H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,21,28,2,20,35,36,34,37,15,32,6,8,5,9,31,14,17,39,22,27,16,33,7,38,4,30,13,18,25,10,23,24,26,11,3,19,29,12/E:(12,13)(14,15)/rA:39cCCOCCCCCCCOOCCCCCCOCCCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s20;s16;w22;s23;s24;d25;s25;s27;s27;s29;s30;d31;s32;s33;d34;s35;d36;d33s37;d30s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H30N2O6 |
All Atoms: | 69 |
Heavy Atoms: | 39 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.9581 |
Area: | 810.4 |
Solvation: | -8.30184 |
Coulombic: | -62.8118 |
Bond Count [?]
All: | 42 |
Single: | 28 |
Double: | 14 |
Rotors: | 13 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.38 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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