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Chemical ID: 6825915
Chemical ID:
6825915
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OCC=C)Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C30H25NO7/c1-4-11-35-22-10-7-19(14-24(22)34-3)27-26-28(32)20-12-17(2)5-8-21(20)38-29(26)30(33)31(27)15-18-6-9-23-25(13-18)37-16-36-23/h4-10,12-14,27H,1,11,15-16H2,2-3H3
InChi Info:
AuxInfo=1/0/N:28,1,24,27,3,31,18,4,32,19,26,7,35,22,29,37,2,30,17,6,5,20,33,21,34,10,16,8,11,13,15,9,14,23,25,38,36,12/rA:38cCCCCCCCCOCCOCONCCCCCCCOCOCCCCCCCCCCOCO/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;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: | 8.58449 |
Area: | 669.763 |
Solvation: | -8.15958 |
Coulombic: | -67.0793 |
Bond Count [?]
All: | 43 |
Single: | 30 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 511.522 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.82 |
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
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