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Chemical ID: 7080836
Chemical ID:
7080836
Name [?]:
None
SMILES [?]:
CCCCCCOc1ccc(cc1OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
InChi [?]:
InChI=1/C33H35NO5/c1-4-5-6-10-19-38-27-16-14-24(21-28(27)37-3)30-29-31(35)25-20-22(2)13-15-26(25)39-32(29)33(36)34(30)18-17-23-11-8-7-9-12-23/h7-9,11-16,20-21,30H,4-6,10,17-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,39,15,2,3,4,36,35,37,5,34,38,23,10,24,9,32,31,6,21,12,22,33,11,20,25,8,13,17,16,18,27,28,30,19,29,14,7,26/E:(8,9)(11,12)/rA:39cCCCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d17s26;s27;d28;s16s28;s30;s31;s32;s33;d34;s35;d36;d33s37;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H35NO5 |
All Atoms: | 74 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.0275 |
Area: | 825.229 |
Solvation: | -6.60319 |
Coulombic: | -52.1006 |
Bond Count [?]
All: | 43 |
Single: | 31 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 525.635 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 6.77 |
LogP (Chemaxon): | 6.65 |
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.
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