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Chemical ID: 7700609
Chemical ID:
7700609
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)NC(=O)c2ccc(cc2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C21H17ClN2O2/c1-14-3-2-4-19(13-14)24-21(26)16-7-11-18(12-8-16)23-20(25)15-5-9-17(22)10-6-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,21,25,12,16,22,24,13,15,7,2,20,11,23,14,6,18,9,26,17,8,19,10/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCNCOCCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8928 |
Area: | 594.1 |
Solvation: | -2.95966 |
Coulombic: | -45.1386 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.02 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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