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Chemical ID: 7701897
Chemical ID:
7701897
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNC(=O)c2ccc(cc2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C21H17ClN2O2/c22-18-8-4-7-17(13-18)21(26)24-19-11-9-16(10-12-19)20(25)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,23,25)(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,3,5,21,23,12,16,13,15,25,7,4,11,20,24,14,9,18,26,8,17,10,19/E:(2,3)(5,6)(9,10)(11,12)/rA:26nCCCCCCCNCOCCCCCCNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17ClN2O2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1951 |
Area: | 603.416 |
Solvation: | -2.89033 |
Coulombic: | -46.5855 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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