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Chemical ID: 7700636
Chemical ID:
7700636
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)NC(=O)c2cccc(c2)NC(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H16Cl2N2O2/c1-13-4-2-6-16(10-13)24-20(26)14-5-3-7-17(11-14)25-21(27)18-9-8-15(22)12-19(18)23/h2-12H,1H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,4,13,3,12,5,14,22,21,7,16,24,2,11,23,6,15,20,25,9,18,27,26,8,17,10,19/rA:27nCCCCCCCNCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16Cl2N2O2 |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.761 |
Area: | 614.297 |
Solvation: | -3.59645 |
Coulombic: | -44.0236 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.64 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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