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Chemical ID: 7080195
Chemical ID:
7080195
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C3c4c(=O)c5ccccc5oc4C(=O)N3CCOC
InChi [?]:
InChI=1/C29H27NO6/c1-3-34-24-17-20(13-14-23(24)35-18-19-9-5-4-6-10-19)26-25-27(31)21-11-7-8-12-22(21)36-28(25)29(32)30(26)15-16-33-2/h4-14,17,26H,3,15-16,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,15,14,16,24,25,13,17,23,26,7,8,33,34,5,11,12,6,22,27,9,4,19,18,20,29,30,32,21,31,35,3,10,28/E:(5,6)(9,10)/rA:36cCCOCCCCCCOCCCCCCCCCCOCCCCCCOCCONCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s6;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s27;d19s28;s29;d30;s18s30;s32;s33;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H27NO6 |
All Atoms: | 63 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6831 |
Area: | 734.905 |
Solvation: | -7.68957 |
Coulombic: | -58.9561 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 485.528 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.92 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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