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Chemical ID: 7707260
Chemical ID:
7707260
Name [?]:
None
SMILES [?]:
CCOc1ccccc1C=NNC(=O)c2ccc(cc2)OCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H21ClN2O3/c1-2-28-22-6-4-3-5-19(22)15-25-26-23(27)18-9-13-21(14-10-18)29-16-17-7-11-20(24)12-8-17/h3-15H,2,16H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,24,28,16,20,25,27,17,19,10,22,23,15,9,26,18,4,13,29,11,12,14,3,21/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCCOCCCCCCCNNCOCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21ClN2O3 |
All Atoms: | 50 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.74242 |
Area: | 660.792 |
Solvation: | -6.77737 |
Coulombic: | -35.1425 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.58 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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