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Chemical ID: 7708348
Chemical ID:
7708348
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)c2ccccc2Br)OCc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H15BrCl2N2O2/c22-18-7-3-2-6-17(18)21(27)26-25-12-14-5-1-4-8-20(14)28-13-15-9-10-16(23)11-19(15)24/h1-12H,13H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,6,13,16,3,22,23,25,7,20,5,21,24,12,17,26,4,10,18,28,27,8,9,11,19/rA:28nCCCCCCCNNCOCCCCCCBrOCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s4;s19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15BrCl2N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5259 |
Area: | 606.223 |
Solvation: | -4.62964 |
Coulombic: | -29.1925 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
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
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