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Chemical ID: 7704162
Chemical ID:
7704162
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C30H28N2O6/c1-19-9-12-23(15-20(19)2)37-18-29(33)32-31-17-25-24-8-6-5-7-21(24)10-13-26(25)38-30(34)22-11-14-27(35-3)28(16-22)36-4/h5-17H,18H2,1-4H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,8,38,36,20,19,21,18,3,23,30,4,24,31,6,34,15,10,2,7,22,29,5,17,16,25,32,33,11,27,14,13,12,28,37,35,9,26/rA:38nCCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;w14;s15;s16;s17;d18;s19;d20;d17s21;s22;d23;d16s24;s25;s26;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;s32;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H28N2O6 |
All Atoms: | 66 |
Heavy Atoms: | 38 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.27876 |
Area: | 754.739 |
Solvation: | -9.58972 |
Coulombic: | -59.5977 |
Bond Count [?]
All: | 41 |
Single: | 27 |
Double: | 14 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.88 |
LogP (Chemaxon): | None |
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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