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Chemical ID: 7702037
Chemical ID:
7702037
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc4c3cccc4
InChi [?]:
InChI=1/C29H25ClN2O5/c1-3-35-27-17-20(11-16-26(27)37-29(34)22-12-14-23(30)15-13-22)18-31-32-28(33)19(2)36-25-10-6-8-21-7-4-5-9-24(21)25/h4-19H,3H2,1-2H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,26,2,36,35,30,37,31,34,29,7,14,18,15,17,8,5,20,25,6,32,13,16,33,28,9,4,23,11,19,21,22,24,12,3,27,10/E:(12,13)(14,15)/rA:37cCCOCCCCCCOCOCCCCCCClCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s6;w20;s21;s22;d23;s23;s25;s25;s27;s28;d29;s30;d31;d28s32;s33;d34;s35;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25ClN2O5 |
All Atoms: | 62 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5396 |
Area: | 787.13 |
Solvation: | -7.13863 |
Coulombic: | -56.4743 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 11 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.66 |
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.
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