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Chemical ID: 7080245
Chemical ID:
7080245
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C3c4c(=O)c5cc(ccc5oc4C(=O)N3CCOC)C
InChi [?]:
InChI=1/C30H29NO6/c1-4-35-25-17-21(11-13-24(25)36-18-20-8-6-5-7-9-20)27-26-28(32)22-16-19(2)10-12-23(22)37-29(26)30(33)31(27)14-15-34-3/h5-13,16-17,27H,4,14-15,18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,36,2,15,14,16,13,17,25,7,26,8,33,34,23,5,11,24,12,6,22,27,9,4,19,18,20,29,30,32,21,31,35,3,10,28/E:(6,7)(8,9)/rA:37cCCOCCCCCCOCCCCCCCCCCOCCCCCCOCCONCCOCC/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29NO6 |
All Atoms: | 66 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2707 |
Area: | 757.52 |
Solvation: | -7.66734 |
Coulombic: | -58.7363 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 499.554 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.57 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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