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Chemical ID: 6825883
Chemical ID:
6825883
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OCC=C)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C30H25NO7/c1-3-13-35-22-12-10-19(15-25(22)34-4-2)27-26-28(32)20-7-5-6-8-21(20)38-29(26)30(33)31(27)16-18-9-11-23-24(14-18)37-17-36-23/h3,5-12,14-15,27H,1,4,13,16-17H2,2H3
InChi Info:
AuxInfo=1/0/N:13,1,12,2,20,21,19,22,31,7,32,8,11,35,5,29,37,30,6,18,23,9,33,34,4,15,14,16,25,26,28,17,27,3,10,38,36,24/rA:38cCCOCCCCCCOCCCCCCOCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;d31;s32;d33;d30s34;s34;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H25NO7 |
All Atoms: | 63 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.85916 |
Area: | 674.313 |
Solvation: | -7.99867 |
Coulombic: | -67.5888 |
Bond Count [?]
All: | 43 |
Single: | 30 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 511.522 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.69 |
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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