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Chemical ID: 7080835
Chemical ID:
7080835
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OCC=C)CCc5ccccc5
InChi [?]:
InChI=1/C30H27NO5/c1-4-16-35-24-13-11-21(18-25(24)34-3)27-26-28(32)22-17-19(2)10-12-23(22)36-29(26)30(33)31(27)15-14-20-8-6-5-7-9-20/h4-13,17-18,27H,1,14-16H2,2-3H3
InChi Info:
AuxInfo=1/0/N:28,1,24,27,34,33,35,32,36,3,18,4,19,30,29,26,7,22,2,31,17,6,5,20,21,10,16,8,11,13,15,9,14,23,25,12/E:(6,7)(8,9)/rA:36cCCCCCCCCOCCOCONCCCCCCCOCOCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s26;d27;s15;s29;s30;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H27NO5 |
All Atoms: | 63 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7187 |
Area: | 738.52 |
Solvation: | -6.7443 |
Coulombic: | -52.3775 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 481.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.9 |
LogP (Chemaxon): | 5.39 |
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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