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Chemical ID: 7700174
Chemical ID:
7700174
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)NC(=O)c3ccc(cc3)C)Cl
InChi [?]:
InChI=1/C22H19ClN2O2/c1-14-3-7-16(8-4-14)21(26)24-18-11-12-19(23)20(13-18)25-22(27)17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,26,3,7,22,24,4,6,21,25,12,13,16,2,23,5,20,11,14,15,8,18,27,10,17,9,19/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCCCCCCCCONCCCCCCNCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19ClN2O2 |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.8406 |
Area: | 608.63 |
Solvation: | -2.37517 |
Coulombic: | -46.0002 |
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: | 5.46 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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