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Chemical ID: 7704092
Chemical ID:
7704092
Name [?]:
None
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2Cl)Cl)C=NNC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C24H20Cl2N2O5/c1-3-32-22-12-15(14-27-28-23(29)18-6-4-5-7-20(18)31-2)8-11-21(22)33-24(30)17-10-9-16(25)13-19(17)26/h4-14H,3H2,1-2H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,33,2,28,29,27,30,7,15,14,8,5,17,21,6,16,13,26,18,31,9,4,24,11,20,19,22,23,25,12,32,3,10/rA:33nCCOCCCCCCOCOCCCCCCClClCNNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s16;s6;w21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20Cl2N2O5 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.8506 |
Area: | 742.11 |
Solvation: | -7.70215 |
Coulombic: | -53.6315 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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